2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanediamide

C9H14N4O3 — CID 103827683

IUPAC2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanediamide
SMILESCc1cnc(CNC(=O)C(N)CC(N)=O)o1
InChIInChI=1S/C9H14N4O3/c1-5-3-12-8(16-5)4-13-9(15)6(10)2-7(11)14/h3,6H,2,4,10H2,1H3,(H2,11,14)(H,13,15)
InChIKeyCFUJULWJNZKTSR-UHFFFAOYSA-N
MW226.24 g/mol
LogP-1.20
Rot. Bonds5

About 2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanediamide

2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanediamide (PubChem CID 103827683) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanediamide.

Molecular Properties

Compound Name2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanediamide
PubChem CID103827683
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Name2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanediamide
SMILESCc1cnc(CNC(=O)C(N)CC(N)=O)o1
InChIInChI=1S/C9H14N4O3/c1-5-3-12-8(16-5)4-13-9(15)6(10)2-7(11)14/h3,6H,2,4,10H2,1H3,(H2,11,14)(H,13,15)
InChIKeyCFUJULWJNZKTSR-UHFFFAOYSA-N
XLogP-1.20
TPSA124.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide
CID 103797047
2-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]butanediamide
CID 106370829
(2S)-2-amino-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide
CID 103797057
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-sulfanylpropanamide
CID 106377758
2-carbamothioyl-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide
CID 106372293
2-(methylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide
CID 106371516
2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
CID 83622965
3-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]hexanamide
CID 106371365
2-(aminomethyl)-4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pentanamide
CID 113266895
2-amino-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propanoic acid
CID 106373556
2-amino-N-[(3-methyl-2-pyridinyl)methyl]butanediamide
CID 63306615
3-amino-3-hydroxyimino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide
CID 106375701

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanediamide?
The IUPAC name of 2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanediamide (CID 103827683) is 2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanediamide.
What is the SMILES notation for 2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanediamide?
The canonical SMILES for 2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanediamide is Cc1cnc(CNC(=O)C(N)CC(N)=O)o1.
What is the InChIKey of 2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanediamide?
The InChIKey is CFUJULWJNZKTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c1-5-3-12-8(16-5)4-13-9(15)6(10)2-7(11)14/h3,6H,2,4,10H2,1H3,(H2,11,14)(H,13,15).
What are the key properties of 2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanediamide?
2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanediamide has a molecular weight of 226.24 g/mol, XLogP of -1.20, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanediamide is sourced from PubChem (CID 103827683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).