N-(4-aminocyclohexyl)-4-methyl-1,3-oxazole-5-carboxamide

C11H17N3O2 — CID 81478804

IUPACN-(4-aminocyclohexyl)-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NC1CCC(N)CC1
InChIInChI=1S/C11H17N3O2/c1-7-10(16-6-13-7)11(15)14-9-4-2-8(12)3-5-9/h6,8-9H,2-5,12H2,1H3,(H,14,15)
InChIKeyNMYCWCIBTBBRQX-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.98
Rot. Bonds2

About N-(4-aminocyclohexyl)-4-methyl-1,3-oxazole-5-carboxamide

N-(4-aminocyclohexyl)-4-methyl-1,3-oxazole-5-carboxamide (PubChem CID 81478804) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-4-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-4-methyl-1,3-oxazole-5-carboxamide
PubChem CID81478804
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN-(4-aminocyclohexyl)-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NC1CCC(N)CC1
InChIInChI=1S/C11H17N3O2/c1-7-10(16-6-13-7)11(15)14-9-4-2-8(12)3-5-9/h6,8-9H,2-5,12H2,1H3,(H,14,15)
InChIKeyNMYCWCIBTBBRQX-UHFFFAOYSA-N
XLogP0.98
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(4-methyl-1,3-oxazole-5-carbonyl)amino]cyclohexane-1-carboxylate
CID 113248111
4-methyl-N-piperidin-3-yl-1,3-oxazole-5-carboxamide
CID 81471254
N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 110125439
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
N-(azetidin-3-ylmethyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 127017043
N-[2-(bromomethyl)cyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 106367227
N-(2-cyanocyclopentyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 79605102
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
N-(4-aminocyclohexyl)-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119477538
N-[4-[[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]carbamoyl]cyclohexyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 169418414
N-(4-aminocyclohexyl)-5-bromo-3-methyl-1-benzofuran-2-carboxamide
CID 119475221
N-(4-aminocyclohexyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 119476472

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-4-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-4-methyl-1,3-oxazole-5-carboxamide (CID 81478804) is N-(4-aminocyclohexyl)-4-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-4-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-4-methyl-1,3-oxazole-5-carboxamide is Cc1ncoc1C(=O)NC1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-4-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is NMYCWCIBTBBRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-7-10(16-6-13-7)11(15)14-9-4-2-8(12)3-5-9/h6,8-9H,2-5,12H2,1H3,(H,14,15).
What are the key properties of N-(4-aminocyclohexyl)-4-methyl-1,3-oxazole-5-carboxamide?
N-(4-aminocyclohexyl)-4-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 223.28 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-4-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 81478804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).