2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]acetamide

C18H18N4O3 — CID 18192836

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]acetamide
SMILESCc1noc(C)c1CC(=O)Nc1ccc(C(=O)c2nccn2C)cc1
InChIInChI=1S/C18H18N4O3/c1-11-15(12(2)25-21-11)10-16(23)20-14-6-4-13(5-7-14)17(24)18-19-8-9-22(18)3/h4-9H,10H2,1-3H3,(H,20,23)
InChIKeyDHCSGSMLMWNDQT-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.44
Rot. Bonds5

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]acetamide

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]acetamide (PubChem CID 18192836) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]acetamide
PubChem CID18192836
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]acetamide
SMILESCc1noc(C)c1CC(=O)Nc1ccc(C(=O)c2nccn2C)cc1
InChIInChI=1S/C18H18N4O3/c1-11-15(12(2)25-21-11)10-16(23)20-14-6-4-13(5-7-14)17(24)18-19-8-9-22(18)3/h4-9H,10H2,1-3H3,(H,20,23)
InChIKeyDHCSGSMLMWNDQT-UHFFFAOYSA-N
XLogP2.44
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]benzoate
CID 17488167
N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 30970419
N-[4-(1-methylimidazole-2-carbonyl)phenyl]-3-(4-methylphenyl)propanamide
CID 24555609
3,5-dimethyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
CID 51187656
N-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-4-carboxamide
CID 17414915
2-(4-chlorophenyl)sulfanyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]acetamide
CID 18192837
6-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-3-carboxamide
CID 18149133
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-propan-2-yloxyphenyl)acetamide
CID 47044065
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 9360666
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]acetamide
CID 139911276
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 37121675
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]acetamide
CID 122316802

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]acetamide (CID 18192836) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]acetamide is Cc1noc(C)c1CC(=O)Nc1ccc(C(=O)c2nccn2C)cc1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]acetamide?
The InChIKey is DHCSGSMLMWNDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-11-15(12(2)25-21-11)10-16(23)20-14-6-4-13(5-7-14)17(24)18-19-8-9-22(18)3/h4-9H,10H2,1-3H3,(H,20,23).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]acetamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]acetamide has a molecular weight of 338.37 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]acetamide is sourced from PubChem (CID 18192836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).