N-[4-[(4-fluorophenyl)-imidazol-1-ylmethyl]phenyl]-1,3-benzoxazol-2-amine

C23H17FN4O — CID 57412004

IUPACN-[4-[(4-fluorophenyl)-imidazol-1-ylmethyl]phenyl]-1,3-benzoxazol-2-amine
SMILESFc1ccc(C(c2ccc(Nc3nc4ccccc4o3)cc2)n2ccnc2)cc1
InChIInChI=1S/C23H17FN4O/c24-18-9-5-16(6-10-18)22(28-14-13-25-15-28)17-7-11-19(12-8-17)26-23-27-20-3-1-2-4-21(20)29-23/h1-15,22H,(H,26,27)
InChIKeyBWXLOGGHGYONLD-UHFFFAOYSA-N
MW384.41 g/mol
LogP5.54
Rot. Bonds5

About N-[4-[(4-fluorophenyl)-imidazol-1-ylmethyl]phenyl]-1,3-benzoxazol-2-amine

N-[4-[(4-fluorophenyl)-imidazol-1-ylmethyl]phenyl]-1,3-benzoxazol-2-amine (PubChem CID 57412004) has the molecular formula C23H17FN4O and a molecular weight of 384.41 g/mol. Its IUPAC name is N-[4-[(4-fluorophenyl)-imidazol-1-ylmethyl]phenyl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-[4-[(4-fluorophenyl)-imidazol-1-ylmethyl]phenyl]-1,3-benzoxazol-2-amine
PubChem CID57412004
Molecular FormulaC23H17FN4O
Molecular Weight384.41 g/mol
Exact Mass384.14
IUPAC NameN-[4-[(4-fluorophenyl)-imidazol-1-ylmethyl]phenyl]-1,3-benzoxazol-2-amine
SMILESFc1ccc(C(c2ccc(Nc3nc4ccccc4o3)cc2)n2ccnc2)cc1
InChIInChI=1S/C23H17FN4O/c24-18-9-5-16(6-10-18)22(28-14-13-25-15-28)17-7-11-19(12-8-17)26-23-27-20-3-1-2-4-21(20)29-23/h1-15,22H,(H,26,27)
InChIKeyBWXLOGGHGYONLD-UHFFFAOYSA-N
XLogP5.54
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.41
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ontazolast
CID 71458
(2S)-3-cyclohexyl-2-[(6-fluoro-1,3-benzoxazol-2-yl)amino]-N-{2-[(4-fluorophenyl)amino]ethyl}propanamide
CID 11247716
(2S)-2-(1,3-benzoxazol-2-ylamino)-3-cyclohexyl-N-[(2S)-1-(5-fluoro-2,3-dihydro-1H-indol-1-yl)propan-2-yl]propanamide
CID 11294227
(2S)-3-cyclohexyl-2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]-N-{2-[(4-fluorophenyl)amino]ethyl}propanamide
CID 11305296
(S)-2-(Benzooxazol-2-ylamino)-3-cyclohexyl-N-[2-(5-fluoro-2,3-dihydro-indol-1-yl)-ethyl]-propionamide
CID 11316876
(2S)-2-(1,3-benzoxazol-2-ylamino)-3-cyclohexyl-N-{2-[(4-fluorophenyl)amino]ethyl}propanamide
CID 11396148
VU0366058
CID 57328392
N-(5-{(1s)-1-[(5-Fluoro-1,3-Benzoxazol-2-Yl)amino]ethyl}-2-Methylphenyl)imidazo[1,2-A]pyridine-3-Carboxamide
CID 86763813
2-(1,3-Benzoxazol-2-ylamino)-4-phenyl-5-pyrimidinecarbonitrile
CID 757689
(2S)-2-(1,3-benzoxazol-2-ylamino)-N-[(2R)-1-(benzyloxy)-3-(5-fluoro-2,3-dihydro-1H-indol-1-yl)propan-2-yl]-3-cyclohexylpropanamide
CID 11753412
N-[(1S,2S)-2-[(5-Fluoro-1,3-benzoxazol-2-yl)amino]cyclopentyl]-2-(2H-1,2,3-triazol-2-yl)benzamide
CID 122438723
N-(2-cyclohexyl-1-pyridin-2-ylethyl)-5-methyl-1,3-benzoxazol-2-amine
CID 6916044

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-fluorophenyl)-imidazol-1-ylmethyl]phenyl]-1,3-benzoxazol-2-amine?
The IUPAC name of N-[4-[(4-fluorophenyl)-imidazol-1-ylmethyl]phenyl]-1,3-benzoxazol-2-amine (CID 57412004) is N-[4-[(4-fluorophenyl)-imidazol-1-ylmethyl]phenyl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-[4-[(4-fluorophenyl)-imidazol-1-ylmethyl]phenyl]-1,3-benzoxazol-2-amine?
The canonical SMILES for N-[4-[(4-fluorophenyl)-imidazol-1-ylmethyl]phenyl]-1,3-benzoxazol-2-amine is Fc1ccc(C(c2ccc(Nc3nc4ccccc4o3)cc2)n2ccnc2)cc1.
What is the InChIKey of N-[4-[(4-fluorophenyl)-imidazol-1-ylmethyl]phenyl]-1,3-benzoxazol-2-amine?
The InChIKey is BWXLOGGHGYONLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN4O/c24-18-9-5-16(6-10-18)22(28-14-13-25-15-28)17-7-11-19(12-8-17)26-23-27-20-3-1-2-4-21(20)29-23/h1-15,22H,(H,26,27).
What are the key properties of N-[4-[(4-fluorophenyl)-imidazol-1-ylmethyl]phenyl]-1,3-benzoxazol-2-amine?
N-[4-[(4-fluorophenyl)-imidazol-1-ylmethyl]phenyl]-1,3-benzoxazol-2-amine has a molecular weight of 384.41 g/mol, XLogP of 5.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-fluorophenyl)-imidazol-1-ylmethyl]phenyl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 57412004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).