N-[4-[(4aS,7aS)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-6-carbonyl]cyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide

C19H28N4O4 — CID 169414968

IUPACN-[4-[(4aS,7aS)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-6-carbonyl]cyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NC1CCC(C(=O)N2C[C@@H]3OCCN(C)[C@H]3C2)CC1
InChIInChI=1S/C19H28N4O4/c1-12-17(27-11-20-12)18(24)21-14-5-3-13(4-6-14)19(25)23-9-15-16(10-23)26-8-7-22(15)2/h11,13-16H,3-10H2,1-2H3,(H,21,24)/t13?,14?,15-,16-/m0/s1
InChIKeyCRVBPFVEXIQWRU-CKUJCDMFSA-N
MW376.46 g/mol
LogP0.81
Rot. Bonds3

About N-[4-[(4aS,7aS)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-6-carbonyl]cyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide

N-[4-[(4aS,7aS)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-6-carbonyl]cyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide (PubChem CID 169414968) has the molecular formula C19H28N4O4 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[4-[(4aS,7aS)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-6-carbonyl]cyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[(4aS,7aS)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-6-carbonyl]cyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide
PubChem CID169414968
Molecular FormulaC19H28N4O4
Molecular Weight376.46 g/mol
Exact Mass376.21
IUPAC NameN-[4-[(4aS,7aS)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-6-carbonyl]cyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NC1CCC(C(=O)N2C[C@@H]3OCCN(C)[C@H]3C2)CC1
InChIInChI=1S/C19H28N4O4/c1-12-17(27-11-20-12)18(24)21-14-5-3-13(4-6-14)19(25)23-9-15-16(10-23)26-8-7-22(15)2/h11,13-16H,3-10H2,1-2H3,(H,21,24)/t13?,14?,15-,16-/m0/s1
InChIKeyCRVBPFVEXIQWRU-CKUJCDMFSA-N
XLogP0.81
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[(4aS,7aS)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-6-carbonyl]cyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide with MolForge

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Related Compounds

[(4aS,7aS)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-[4-[(3,5-dichloro-2-pyridinyl)amino]cyclohexyl]methanone
CID 169413618
N-[4-[(4aS,7aS)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-6-carbonyl]cyclohexyl]-2-(3-fluorophenyl)acetamide
CID 169414045
methyl 4-[(4-methyl-1,3-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylate
CID 113248111
N-[4-[(4aS,7aS)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-6-carbonyl]cyclohexyl]-2-(3-fluorophenyl)acetamide;formic acid
CID 171712372
N-(4-aminocyclohexyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 81478804
[(4aS,8aS)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(4-methylcyclohexyl)methanone
CID 155869695
4-methyl-N-piperidin-3-yl-1,3-oxazole-5-carboxamide
CID 81471254
[(4aR,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(oxolan-3-yl)methanone
CID 133137430
N-[(3aR,7aS)-2-benzyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-yl]-4-methyl-1,3-oxazole-5-carboxamide
CID 138022364
1-[3-[(4aR,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine-6-carbonyl]azetidin-1-yl]ethanone
CID 129491378
6-[(4aR,7aR)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-6-carbonyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 97158825
[(4aR,7aS)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(2-ethoxy-1,3-oxazol-4-yl)methanone
CID 154807800

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4aS,7aS)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-6-carbonyl]cyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[4-[(4aS,7aS)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-6-carbonyl]cyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide (CID 169414968) is N-[4-[(4aS,7aS)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-6-carbonyl]cyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[4-[(4aS,7aS)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-6-carbonyl]cyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[4-[(4aS,7aS)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-6-carbonyl]cyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide is Cc1ncoc1C(=O)NC1CCC(C(=O)N2C[C@@H]3OCCN(C)[C@H]3C2)CC1.
What is the InChIKey of N-[4-[(4aS,7aS)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-6-carbonyl]cyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is CRVBPFVEXIQWRU-CKUJCDMFSA-N. The full InChI is InChI=1S/C19H28N4O4/c1-12-17(27-11-20-12)18(24)21-14-5-3-13(4-6-14)19(25)23-9-15-16(10-23)26-8-7-22(15)2/h11,13-16H,3-10H2,1-2H3,(H,21,24)/t13?,14?,15-,16-/m0/s1.
What are the key properties of N-[4-[(4aS,7aS)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-6-carbonyl]cyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide?
N-[4-[(4aS,7aS)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-6-carbonyl]cyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4aS,7aS)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-6-carbonyl]cyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 169414968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).