5-[formyl(methyl)amino]-N-methyl-N-[4-(3-methyl-1,2-oxazol-5-yl)butyl]-3-propylimidazole-4-carboxamide

C18H27N5O3 — CID 134381736

IUPAC5-[formyl(methyl)amino]-N-methyl-N-[4-(3-methyl-1,2-oxazol-5-yl)butyl]-3-propylimidazole-4-carboxamide
SMILESCCCn1cnc(N(C)C=O)c1C(=O)N(C)CCCCc1cc(C)no1
InChIInChI=1S/C18H27N5O3/c1-5-9-23-12-19-17(22(4)13-24)16(23)18(25)21(3)10-7-6-8-15-11-14(2)20-26-15/h11-13H,5-10H2,1-4H3
InChIKeyCOTACBKHSYJQTE-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.28
Rot. Bonds10

About 5-[formyl(methyl)amino]-N-methyl-N-[4-(3-methyl-1,2-oxazol-5-yl)butyl]-3-propylimidazole-4-carboxamide

5-[formyl(methyl)amino]-N-methyl-N-[4-(3-methyl-1,2-oxazol-5-yl)butyl]-3-propylimidazole-4-carboxamide (PubChem CID 134381736) has the molecular formula C18H27N5O3 and a molecular weight of 361.45 g/mol. Its IUPAC name is 5-[formyl(methyl)amino]-N-methyl-N-[4-(3-methyl-1,2-oxazol-5-yl)butyl]-3-propylimidazole-4-carboxamide.

Molecular Properties

Compound Name5-[formyl(methyl)amino]-N-methyl-N-[4-(3-methyl-1,2-oxazol-5-yl)butyl]-3-propylimidazole-4-carboxamide
PubChem CID134381736
Molecular FormulaC18H27N5O3
Molecular Weight361.45 g/mol
Exact Mass361.21
IUPAC Name5-[formyl(methyl)amino]-N-methyl-N-[4-(3-methyl-1,2-oxazol-5-yl)butyl]-3-propylimidazole-4-carboxamide
SMILESCCCn1cnc(N(C)C=O)c1C(=O)N(C)CCCCc1cc(C)no1
InChIInChI=1S/C18H27N5O3/c1-5-9-23-12-19-17(22(4)13-24)16(23)18(25)21(3)10-7-6-8-15-11-14(2)20-26-15/h11-13H,5-10H2,1-4H3
InChIKeyCOTACBKHSYJQTE-UHFFFAOYSA-N
XLogP2.28
TPSA84.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[formyl(methyl)amino]-N-methyl-N-[4-(3-methyl-1,2-oxazol-5-yl)butyl]-3-propylimidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[formyl(methyl)amino]-N-methyl-N-[4-(3-methyl-1,2-oxazol-5-yl)butyl]-3-(2,2,2-trifluoroethyl)imidazole-4-carboxamide
CID 134381920
4-[formyl(methyl)amino]-N-methyl-N-[3-(3-methyl-1,2-oxazol-5-yl)propyl]pyridine-3-carboxamide
CID 134381884
5-heptyl-3-methyl-1,2-oxazole
CID 57223532
2-ethyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]butanamide
CID 90537585
7-(3-methyl-1,2-oxazol-5-yl)heptan-1-ol
CID 19894069
N-methyl-2-(3-methyl-1,2-oxazol-5-yl)-N-(3-pyrazol-1-ylpropyl)acetamide
CID 91790665
3-methyl-1-[4-(3-methyl-1,2-oxazol-5-yl)butyl]-7-(2-methylpentyl)purine-2,6-dione
CID 134381879
butane;7-(cyclopentylmethyl)-3-methyl-1-[4-(3-methyl-1,2-oxazol-5-yl)butyl]purine-2,6-dione
CID 145188695
ethyl 4-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]benzoate
CID 5271188
N-(3-bromopropyl)-N,3-dimethyl-1,2-oxazole-5-carboxamide
CID 106441431
4-amino-N,6-dimethyl-N-pentylpyridine-3-carboxamide
CID 81236445
2-amino-N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]pentanamide
CID 119314299

Frequently Asked Questions

What is the IUPAC name of 5-[formyl(methyl)amino]-N-methyl-N-[4-(3-methyl-1,2-oxazol-5-yl)butyl]-3-propylimidazole-4-carboxamide?
The IUPAC name of 5-[formyl(methyl)amino]-N-methyl-N-[4-(3-methyl-1,2-oxazol-5-yl)butyl]-3-propylimidazole-4-carboxamide (CID 134381736) is 5-[formyl(methyl)amino]-N-methyl-N-[4-(3-methyl-1,2-oxazol-5-yl)butyl]-3-propylimidazole-4-carboxamide.
What is the SMILES notation for 5-[formyl(methyl)amino]-N-methyl-N-[4-(3-methyl-1,2-oxazol-5-yl)butyl]-3-propylimidazole-4-carboxamide?
The canonical SMILES for 5-[formyl(methyl)amino]-N-methyl-N-[4-(3-methyl-1,2-oxazol-5-yl)butyl]-3-propylimidazole-4-carboxamide is CCCn1cnc(N(C)C=O)c1C(=O)N(C)CCCCc1cc(C)no1.
What is the InChIKey of 5-[formyl(methyl)amino]-N-methyl-N-[4-(3-methyl-1,2-oxazol-5-yl)butyl]-3-propylimidazole-4-carboxamide?
The InChIKey is COTACBKHSYJQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O3/c1-5-9-23-12-19-17(22(4)13-24)16(23)18(25)21(3)10-7-6-8-15-11-14(2)20-26-15/h11-13H,5-10H2,1-4H3.
What are the key properties of 5-[formyl(methyl)amino]-N-methyl-N-[4-(3-methyl-1,2-oxazol-5-yl)butyl]-3-propylimidazole-4-carboxamide?
5-[formyl(methyl)amino]-N-methyl-N-[4-(3-methyl-1,2-oxazol-5-yl)butyl]-3-propylimidazole-4-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 2.28, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[formyl(methyl)amino]-N-methyl-N-[4-(3-methyl-1,2-oxazol-5-yl)butyl]-3-propylimidazole-4-carboxamide is sourced from PubChem (CID 134381736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).