N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]phenyl]-5-(3-methoxyphenyl)furan-2-carboxamide

C25H25N3O4 — CID 143053482

IUPACN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]phenyl]-5-(3-methoxyphenyl)furan-2-carboxamide
SMILESCOc1cccc(-c2ccc(C(=O)Nc3ccc(Nc4cc(C(C)(C)C)on4)cc3)o2)c1
InChIInChI=1S/C25H25N3O4/c1-25(2,3)22-15-23(28-32-22)26-17-8-10-18(11-9-17)27-24(29)21-13-12-20(31-21)16-6-5-7-19(14-16)30-4/h5-15H,1-4H3,(H,26,28)(H,27,29)
InChIKeyOKLXIHNXZZUGCH-UHFFFAOYSA-N
MW431.49 g/mol
LogP6.24
Rot. Bonds6

About N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]phenyl]-5-(3-methoxyphenyl)furan-2-carboxamide

N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]phenyl]-5-(3-methoxyphenyl)furan-2-carboxamide (PubChem CID 143053482) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]phenyl]-5-(3-methoxyphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]phenyl]-5-(3-methoxyphenyl)furan-2-carboxamide
PubChem CID143053482
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC NameN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]phenyl]-5-(3-methoxyphenyl)furan-2-carboxamide
SMILESCOc1cccc(-c2ccc(C(=O)Nc3ccc(Nc4cc(C(C)(C)C)on4)cc3)o2)c1
InChIInChI=1S/C25H25N3O4/c1-25(2,3)22-15-23(28-32-22)26-17-8-10-18(11-9-17)27-24(29)21-13-12-20(31-21)16-6-5-7-19(14-16)30-4/h5-15H,1-4H3,(H,26,28)(H,27,29)
InChIKeyOKLXIHNXZZUGCH-UHFFFAOYSA-N
XLogP6.24
TPSA89.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.49
LogP ≤ 56.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-chlorophenyl)-N-(4-methoxyphenyl)furan-2-carboxamide
CID 880701
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(4-methoxyanilino)phenyl]urea
CID 59381112
N-(3-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 1289408
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]phenyl]-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzamide
CID 143053328
N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-4-(4-methoxyphenyl)thiophene-2-carboxamide
CID 59420709
N-(3,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 9096716
N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]-5-phenylfuran-2-carboxamide
CID 17092650
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(4-methoxyphenyl)-2-methylfuran-3-carboxamide
CID 59381091
5-(furan-2-yl)-N-(3-methoxyphenyl)furan-2-carboxamide
CID 71690130
3-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(3-methoxyphenyl)methyl]-1-methylurea
CID 59380951
3-bromo-N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]benzamide
CID 59420609
N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 59420682

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]phenyl]-5-(3-methoxyphenyl)furan-2-carboxamide?
The IUPAC name of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]phenyl]-5-(3-methoxyphenyl)furan-2-carboxamide (CID 143053482) is N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]phenyl]-5-(3-methoxyphenyl)furan-2-carboxamide.
What is the SMILES notation for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]phenyl]-5-(3-methoxyphenyl)furan-2-carboxamide?
The canonical SMILES for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]phenyl]-5-(3-methoxyphenyl)furan-2-carboxamide is COc1cccc(-c2ccc(C(=O)Nc3ccc(Nc4cc(C(C)(C)C)on4)cc3)o2)c1.
What is the InChIKey of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]phenyl]-5-(3-methoxyphenyl)furan-2-carboxamide?
The InChIKey is OKLXIHNXZZUGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4/c1-25(2,3)22-15-23(28-32-22)26-17-8-10-18(11-9-17)27-24(29)21-13-12-20(31-21)16-6-5-7-19(14-16)30-4/h5-15H,1-4H3,(H,26,28)(H,27,29).
What are the key properties of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]phenyl]-5-(3-methoxyphenyl)furan-2-carboxamide?
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]phenyl]-5-(3-methoxyphenyl)furan-2-carboxamide has a molecular weight of 431.49 g/mol, XLogP of 6.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]phenyl]-5-(3-methoxyphenyl)furan-2-carboxamide is sourced from PubChem (CID 143053482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).