3-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]butanamide

C9H14N4O3 — CID 131961427

IUPAC3-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]butanamide
SMILESCc1cc(NC(=O)NC(C)CC(N)=O)no1
InChIInChI=1S/C9H14N4O3/c1-5(3-7(10)14)11-9(15)12-8-4-6(2)16-13-8/h4-5H,3H2,1-2H3,(H2,10,14)(H2,11,12,13,15)
InChIKeyLCCZRTRDGUGNGI-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.37
Rot. Bonds4

About 3-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]butanamide

3-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]butanamide (PubChem CID 131961427) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is 3-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]butanamide.

Molecular Properties

Compound Name3-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]butanamide
PubChem CID131961427
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Name3-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]butanamide
SMILESCc1cc(NC(=O)NC(C)CC(N)=O)no1
InChIInChI=1S/C9H14N4O3/c1-5(3-7(10)14)11-9(15)12-8-4-6(2)16-13-8/h4-5H,3H2,1-2H3,(H2,10,14)(H2,11,12,13,15)
InChIKeyLCCZRTRDGUGNGI-UHFFFAOYSA-N
XLogP0.37
TPSA110.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]pentanoic acid
CID 108812104
1-(1-cyclopropylethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 47125586
(2S)-2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]-3-phenylpropanamide
CID 95153740
N'-butan-2-yl-N-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 44996041
1-(5-methyl-1,2-oxazol-3-yl)-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 94031370
(2S)-2-[(2-aminoacetyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 22689772
(2S)-2-amino-3-methyl-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]butanamide
CID 22689861
1-[1-(4-methoxyphenyl)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812106
(3S)-3-(phenylcarbamoylamino)butanamide
CID 95777024
methyl (3R)-3-(4-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]propanoate
CID 97185103
1-(2-chloroethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812112
(2S)-2-amino-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 79024953

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]butanamide?
The IUPAC name of 3-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]butanamide (CID 131961427) is 3-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]butanamide.
What is the SMILES notation for 3-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]butanamide?
The canonical SMILES for 3-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]butanamide is Cc1cc(NC(=O)NC(C)CC(N)=O)no1.
What is the InChIKey of 3-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]butanamide?
The InChIKey is LCCZRTRDGUGNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c1-5(3-7(10)14)11-9(15)12-8-4-6(2)16-13-8/h4-5H,3H2,1-2H3,(H2,10,14)(H2,11,12,13,15).
What are the key properties of 3-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]butanamide?
3-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]butanamide has a molecular weight of 226.24 g/mol, XLogP of 0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]butanamide is sourced from PubChem (CID 131961427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).