2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N-(methylcarbamoyl)propanamide

C11H18N4O3 — CID 106372677

IUPAC2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)NCc1nc(C)c(C)o1
InChIInChI=1S/C11H18N4O3/c1-6-8(3)18-9(14-6)5-13-7(2)10(16)15-11(17)12-4/h7,13H,5H2,1-4H3,(H2,12,15,16,17)
InChIKeyMLAHNVQRWGLROR-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.23
Rot. Bonds4

About 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N-(methylcarbamoyl)propanamide

2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N-(methylcarbamoyl)propanamide (PubChem CID 106372677) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N-(methylcarbamoyl)propanamide
PubChem CID106372677
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)NCc1nc(C)c(C)o1
InChIInChI=1S/C11H18N4O3/c1-6-8(3)18-9(14-6)5-13-7(2)10(16)15-11(17)12-4/h7,13H,5H2,1-4H3,(H2,12,15,16,17)
InChIKeyMLAHNVQRWGLROR-UHFFFAOYSA-N
XLogP0.23
TPSA96.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(methylcarbamoyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propanamide
CID 54903567
3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-methylbutanoic acid
CID 106372714
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(methylcarbamoyl)propanamide
CID 75413796
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-methoxypropanoic acid
CID 106373630
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-methylbutan-1-ol
CID 79248987
3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylpropanamide
CID 106371786
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,1-difluoropropan-2-amine
CID 106370363
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylpentan-3-amine
CID 61469630
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]hydroxylamine
CID 82594349
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-phenylacetic acid
CID 62109509
N-(methylcarbamoyl)-2-(quinolin-8-ylmethylamino)propanamide
CID 81428182
2-(cyclopropylmethylamino)-N-(methylcarbamoyl)propanamide
CID 43116558

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N-(methylcarbamoyl)propanamide (CID 106372677) is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)C(C)NCc1nc(C)c(C)o1.
What is the InChIKey of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N-(methylcarbamoyl)propanamide?
The InChIKey is MLAHNVQRWGLROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-6-8(3)18-9(14-6)5-13-7(2)10(16)15-11(17)12-4/h7,13H,5H2,1-4H3,(H2,12,15,16,17).
What are the key properties of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N-(methylcarbamoyl)propanamide?
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N-(methylcarbamoyl)propanamide has a molecular weight of 254.29 g/mol, XLogP of 0.23, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 106372677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).