N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-3-(furan-2-yl)prop-2-enamide

C20H14N2O4 — CID 171138075

IUPACN-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-3-(furan-2-yl)prop-2-enamide
SMILESO=C(C=Cc1ccco1)Nc1ccc(-c2nc3ccccc3o2)c(O)c1
InChIInChI=1S/C20H14N2O4/c23-17-12-13(21-19(24)10-8-14-4-3-11-25-14)7-9-15(17)20-22-16-5-1-2-6-18(16)26-20/h1-12,23H,(H,21,24)
InChIKeyGMNFDNNITRBHKY-UHFFFAOYSA-N
MW346.34 g/mol
LogP4.45
Rot. Bonds4

About N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-3-(furan-2-yl)prop-2-enamide

N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-3-(furan-2-yl)prop-2-enamide (PubChem CID 171138075) has the molecular formula C20H14N2O4 and a molecular weight of 346.34 g/mol. Its IUPAC name is N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-3-(furan-2-yl)prop-2-enamide
PubChem CID171138075
Molecular FormulaC20H14N2O4
Molecular Weight346.34 g/mol
Exact Mass346.10
IUPAC NameN-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-3-(furan-2-yl)prop-2-enamide
SMILESO=C(C=Cc1ccco1)Nc1ccc(-c2nc3ccccc3o2)c(O)c1
InChIInChI=1S/C20H14N2O4/c23-17-12-13(21-19(24)10-8-14-4-3-11-25-14)7-9-15(17)20-22-16-5-1-2-6-18(16)26-20/h1-12,23H,(H,21,24)
InChIKeyGMNFDNNITRBHKY-UHFFFAOYSA-N
XLogP4.45
TPSA88.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(furan-2-yl)-N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]prop-2-enamide
CID 782263
3-(furan-2-yl)-N-(2-phenyl-1,3-benzoxazol-5-yl)prop-2-enamide
CID 727013
N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]-3-(furan-2-yl)prop-2-enamide
CID 1109862
N-[2-(5-bromonaphthalen-1-yl)-1,3-benzoxazol-5-yl]-3-(furan-2-yl)prop-2-enamide
CID 1109866
(Z)-N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-(furan-2-yl)prop-2-enamide
CID 2202149
(E)-N-[[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl]-3-(5-phenylfuran-2-yl)prop-2-enamide
CID 137153635
3-(furan-2-yl)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]prop-2-enamide
CID 1327368
(E)-N-[[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl]-3-(4-chlorophenyl)prop-2-enamide
CID 2187119
N-[[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl]-3-(4-chlorophenyl)prop-2-enamide
CID 2903862
(E)-N-[2-(4-bromo-3-methylphenyl)-1,3-benzoxazol-5-yl]-3-(furan-2-yl)prop-2-enamide
CID 1339097
(E)-3-(furan-2-yl)-N-[2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]prop-2-enamide
CID 17163371
(Z)-N-[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]-3-(furan-2-yl)prop-2-enamide
CID 2298621

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-3-(furan-2-yl)prop-2-enamide (CID 171138075) is N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-3-(furan-2-yl)prop-2-enamide is O=C(C=Cc1ccco1)Nc1ccc(-c2nc3ccccc3o2)c(O)c1.
What is the InChIKey of N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-3-(furan-2-yl)prop-2-enamide?
The InChIKey is GMNFDNNITRBHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O4/c23-17-12-13(21-19(24)10-8-14-4-3-11-25-14)7-9-15(17)20-22-16-5-1-2-6-18(16)26-20/h1-12,23H,(H,21,24).
What are the key properties of N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-3-(furan-2-yl)prop-2-enamide?
N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-3-(furan-2-yl)prop-2-enamide has a molecular weight of 346.34 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 171138075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).