N-[(2R)-1-(cyclopropylmethylamino)-1-oxopropan-2-yl]-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide

C19H23N3O5 — CID 93143963

IUPACN-[(2R)-1-(cyclopropylmethylamino)-1-oxopropan-2-yl]-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(OC)c(-c2cc(C(=O)N[C@H](C)C(=O)NCC3CC3)no2)c1
InChIInChI=1S/C19H23N3O5/c1-11(18(23)20-10-12-4-5-12)21-19(24)15-9-17(27-22-15)14-8-13(25-2)6-7-16(14)26-3/h6-9,11-12H,4-5,10H2,1-3H3,(H,20,23)(H,21,24)/t11-/m1/s1
InChIKeyZTLNLUFYHNYOPY-LLVKDONJSA-N
MW373.41 g/mol
LogP2.00
Rot. Bonds8

About N-[(2R)-1-(cyclopropylmethylamino)-1-oxopropan-2-yl]-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide

N-[(2R)-1-(cyclopropylmethylamino)-1-oxopropan-2-yl]-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 93143963) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-[(2R)-1-(cyclopropylmethylamino)-1-oxopropan-2-yl]-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(cyclopropylmethylamino)-1-oxopropan-2-yl]-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID93143963
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC NameN-[(2R)-1-(cyclopropylmethylamino)-1-oxopropan-2-yl]-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(OC)c(-c2cc(C(=O)N[C@H](C)C(=O)NCC3CC3)no2)c1
InChIInChI=1S/C19H23N3O5/c1-11(18(23)20-10-12-4-5-12)21-19(24)15-9-17(27-22-15)14-8-13(25-2)6-7-16(14)26-3/h6-9,11-12H,4-5,10H2,1-3H3,(H,20,23)(H,21,24)/t11-/m1/s1
InChIKeyZTLNLUFYHNYOPY-LLVKDONJSA-N
XLogP2.00
TPSA102.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(benzylamino)-1-oxopropan-2-yl]-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 48992159
N-[(2R)-1-(cyclopropylmethylamino)-1-oxopropan-2-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 93140653
5-(2,5-dimethoxyphenyl)-N-(1-methoxypropan-2-yl)-1,2-oxazole-3-carboxamide
CID 3674837
N-(1-cyclopropyl-2-methoxyethyl)-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 126791281
(4S)-4-[[5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carbonyl]amino]pentanoic acid
CID 97338789
(4R)-4-[[5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carbonyl]amino]pentanoic acid
CID 97338790
5-(2,5-dimethoxyphenyl)-N-[(2S)-1-[2-(dimethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]-1,2-oxazole-3-carboxamide
CID 93143982
5-(2,5-dimethoxyphenyl)-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]-1,2-oxazole-3-carboxamide
CID 49029259
N-[(2R)-1-(cyclopropylmethylamino)-3-methyl-1-oxobutan-2-yl]-5-(2,5-dimethylphenyl)-1,2-oxazole-3-carboxamide
CID 93144025
ethyl 5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxylate
CID 154791670
5-(2,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 3235828
5-(2,5-dimethoxyphenyl)-N-pyridin-4-yl-1,2-oxazole-3-carboxamide
CID 49016837

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(cyclopropylmethylamino)-1-oxopropan-2-yl]-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(2R)-1-(cyclopropylmethylamino)-1-oxopropan-2-yl]-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide (CID 93143963) is N-[(2R)-1-(cyclopropylmethylamino)-1-oxopropan-2-yl]-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(2R)-1-(cyclopropylmethylamino)-1-oxopropan-2-yl]-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(2R)-1-(cyclopropylmethylamino)-1-oxopropan-2-yl]-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide is COc1ccc(OC)c(-c2cc(C(=O)N[C@H](C)C(=O)NCC3CC3)no2)c1.
What is the InChIKey of N-[(2R)-1-(cyclopropylmethylamino)-1-oxopropan-2-yl]-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is ZTLNLUFYHNYOPY-LLVKDONJSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-11(18(23)20-10-12-4-5-12)21-19(24)15-9-17(27-22-15)14-8-13(25-2)6-7-16(14)26-3/h6-9,11-12H,4-5,10H2,1-3H3,(H,20,23)(H,21,24)/t11-/m1/s1.
What are the key properties of N-[(2R)-1-(cyclopropylmethylamino)-1-oxopropan-2-yl]-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide?
N-[(2R)-1-(cyclopropylmethylamino)-1-oxopropan-2-yl]-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 373.41 g/mol, XLogP of 2.00, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(cyclopropylmethylamino)-1-oxopropan-2-yl]-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 93143963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).