N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide

C25H20N4O2 — CID 37424973

IUPACN-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
SMILESO=C(NCc1ccc(Cn2ccnc2)cc1)c1ccc2noc(-c3ccccc3)c2c1
InChIInChI=1S/C25H20N4O2/c30-25(27-15-18-6-8-19(9-7-18)16-29-13-12-26-17-29)21-10-11-23-22(14-21)24(31-28-23)20-4-2-1-3-5-20/h1-14,17H,15-16H2,(H,27,30)
InChIKeyZDTBKIVCDBKJLP-UHFFFAOYSA-N
MW408.46 g/mol
LogP4.67
Rot. Bonds6

About N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide

N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide (PubChem CID 37424973) has the molecular formula C25H20N4O2 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
PubChem CID37424973
Molecular FormulaC25H20N4O2
Molecular Weight408.46 g/mol
Exact Mass408.16
IUPAC NameN-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
SMILESO=C(NCc1ccc(Cn2ccnc2)cc1)c1ccc2noc(-c3ccccc3)c2c1
InChIInChI=1S/C25H20N4O2/c30-25(27-15-18-6-8-19(9-7-18)16-29-13-12-26-17-29)21-10-11-23-22(14-21)24(31-28-23)20-4-2-1-3-5-20/h1-14,17H,15-16H2,(H,27,30)
InChIKeyZDTBKIVCDBKJLP-UHFFFAOYSA-N
XLogP4.67
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-9-oxofluorene-2-carboxamide
CID 37423564
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 34907094
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 37424935
3-phenyl-N-prop-2-ynyl-2,1-benzoxazole-5-carboxamide
CID 18110112
3-fluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-methylbenzamide
CID 37424570
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylquinoline-4-carboxamide
CID 37426486
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide
CID 166187049
N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 122246090
N-[[4-[[4-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide
CID 37424907
4-(imidazol-1-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 43921854
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 43918036
3-phenyl-N-(3-phenylprop-2-ynyl)-2,1-benzoxazole-5-carboxamide
CID 24615547

Frequently Asked Questions

What is the IUPAC name of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide?
The IUPAC name of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide (CID 37424973) is N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide.
What is the SMILES notation for N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide?
The canonical SMILES for N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide is O=C(NCc1ccc(Cn2ccnc2)cc1)c1ccc2noc(-c3ccccc3)c2c1.
What is the InChIKey of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide?
The InChIKey is ZDTBKIVCDBKJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O2/c30-25(27-15-18-6-8-19(9-7-18)16-29-13-12-26-17-29)21-10-11-23-22(14-21)24(31-28-23)20-4-2-1-3-5-20/h1-14,17H,15-16H2,(H,27,30).
What are the key properties of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide?
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide is sourced from PubChem (CID 37424973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).