N-[(1-methylimidazol-2-yl)-phenylmethyl]-1,3-oxazole-5-carboxamide

C15H14N4O2 — CID 90651379

IUPACN-[(1-methylimidazol-2-yl)-phenylmethyl]-1,3-oxazole-5-carboxamide
SMILESCn1ccnc1C(NC(=O)c1cnco1)c1ccccc1
InChIInChI=1S/C15H14N4O2/c1-19-8-7-17-14(19)13(11-5-3-2-4-6-11)18-15(20)12-9-16-10-21-12/h2-10,13H,1H3,(H,18,20)
InChIKeyHYUGMEFAKXILGF-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.93
Rot. Bonds4

About N-[(1-methylimidazol-2-yl)-phenylmethyl]-1,3-oxazole-5-carboxamide

N-[(1-methylimidazol-2-yl)-phenylmethyl]-1,3-oxazole-5-carboxamide (PubChem CID 90651379) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)-phenylmethyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)-phenylmethyl]-1,3-oxazole-5-carboxamide
PubChem CID90651379
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC NameN-[(1-methylimidazol-2-yl)-phenylmethyl]-1,3-oxazole-5-carboxamide
SMILESCn1ccnc1C(NC(=O)c1cnco1)c1ccccc1
InChIInChI=1S/C15H14N4O2/c1-19-8-7-17-14(19)13(11-5-3-2-4-6-11)18-15(20)12-9-16-10-21-12/h2-10,13H,1H3,(H,18,20)
InChIKeyHYUGMEFAKXILGF-UHFFFAOYSA-N
XLogP1.93
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-methylimidazol-2-yl)-phenylmethyl]pyridine-3-carboxamide
CID 42924147
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]pyridine-3-carboxamide
CID 31356933
3,5-dichloro-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 40809427
3,5-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 17495226
3,5-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]-1,2-oxazole-4-carboxamide
CID 75459863
4-(difluoromethoxy)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 25324448
3-fluoro-4-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 17451841
N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-2-oxo-2-pyridin-3-ylacetamide
CID 99928466
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-methylsulfonylbenzamide
CID 25339297
3,6-dichloro-N-[(1-methylimidazol-2-yl)-phenylmethyl]pyridine-2-carboxamide
CID 42924153
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-pyridin-3-ylpropanamide
CID 52521676
3-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 61253020

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)-phenylmethyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[(1-methylimidazol-2-yl)-phenylmethyl]-1,3-oxazole-5-carboxamide (CID 90651379) is N-[(1-methylimidazol-2-yl)-phenylmethyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)-phenylmethyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[(1-methylimidazol-2-yl)-phenylmethyl]-1,3-oxazole-5-carboxamide is Cn1ccnc1C(NC(=O)c1cnco1)c1ccccc1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)-phenylmethyl]-1,3-oxazole-5-carboxamide?
The InChIKey is HYUGMEFAKXILGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-19-8-7-17-14(19)13(11-5-3-2-4-6-11)18-15(20)12-9-16-10-21-12/h2-10,13H,1H3,(H,18,20).
What are the key properties of N-[(1-methylimidazol-2-yl)-phenylmethyl]-1,3-oxazole-5-carboxamide?
N-[(1-methylimidazol-2-yl)-phenylmethyl]-1,3-oxazole-5-carboxamide has a molecular weight of 282.30 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)-phenylmethyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 90651379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).