N-[4-(1,3-benzoxazol-2-ylmethyl)phenyl]-3,5-dimethoxybenzamide

C23H20N2O4 — CID 54858624

IUPACN-[4-(1,3-benzoxazol-2-ylmethyl)phenyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(Cc3nc4ccccc4o3)cc2)c1
InChIInChI=1S/C23H20N2O4/c1-27-18-12-16(13-19(14-18)28-2)23(26)24-17-9-7-15(8-10-17)11-22-25-20-5-3-4-6-21(20)29-22/h3-10,12-14H,11H2,1-2H3,(H,24,26)
InChIKeyXSVJJHTUPYYJCJ-UHFFFAOYSA-N
MW388.42 g/mol
LogP4.69
Rot. Bonds6

About N-[4-(1,3-benzoxazol-2-ylmethyl)phenyl]-3,5-dimethoxybenzamide

N-[4-(1,3-benzoxazol-2-ylmethyl)phenyl]-3,5-dimethoxybenzamide (PubChem CID 54858624) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is N-[4-(1,3-benzoxazol-2-ylmethyl)phenyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-(1,3-benzoxazol-2-ylmethyl)phenyl]-3,5-dimethoxybenzamide
PubChem CID54858624
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC NameN-[4-(1,3-benzoxazol-2-ylmethyl)phenyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(Cc3nc4ccccc4o3)cc2)c1
InChIInChI=1S/C23H20N2O4/c1-27-18-12-16(13-19(14-18)28-2)23(26)24-17-9-7-15(8-10-17)11-22-25-20-5-3-4-6-21(20)29-22/h3-10,12-14H,11H2,1-2H3,(H,24,26)
InChIKeyXSVJJHTUPYYJCJ-UHFFFAOYSA-N
XLogP4.69
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(1,3-benzoxazol-2-ylmethyl)phenyl]-4-ethylbenzamide
CID 54857948
N-[4-(1,3-benzoxazol-2-ylmethyl)phenyl]-1-benzofuran-2-carboxamide
CID 54858220
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3,5-dimethoxybenzamide
CID 8699405
N-[4-[(5,6-dimethyl-1,3-benzoxazol-2-yl)methyl]phenyl]-3,4,5-trimethoxybenzamide
CID 54858591
N-[[4-[(5-ethyl-1,3-benzoxazol-2-yl)methyl]phenyl]carbamothioyl]-3-methoxybenzamide
CID 54859397
N-[[4-[(5-ethyl-1,3-benzoxazol-2-yl)methyl]phenyl]carbamothioyl]-4-methoxybenzamide
CID 54859298
N-[[4-(1,3-benzoxazol-2-ylmethyl)phenyl]carbamothioyl]-2-(3-methylphenoxy)acetamide
CID 54859519
3-methoxy-N-[[4-[(5-propan-2-yl-1,3-benzoxazol-2-yl)methyl]phenyl]carbamothioyl]benzamide
CID 54859707
4-ethyl-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]benzamide
CID 54857949
N-(2-benzyl-1,3-benzoxazol-5-yl)-4-butoxybenzamide
CID 17163160
N-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]-3-ethoxybenzamide
CID 1365609
4-tert-butyl-N-[4-[(5-ethyl-1,3-benzoxazol-2-yl)methyl]phenyl]benzamide
CID 54857974

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzoxazol-2-ylmethyl)phenyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[4-(1,3-benzoxazol-2-ylmethyl)phenyl]-3,5-dimethoxybenzamide (CID 54858624) is N-[4-(1,3-benzoxazol-2-ylmethyl)phenyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[4-(1,3-benzoxazol-2-ylmethyl)phenyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[4-(1,3-benzoxazol-2-ylmethyl)phenyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)Nc2ccc(Cc3nc4ccccc4o3)cc2)c1.
What is the InChIKey of N-[4-(1,3-benzoxazol-2-ylmethyl)phenyl]-3,5-dimethoxybenzamide?
The InChIKey is XSVJJHTUPYYJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-27-18-12-16(13-19(14-18)28-2)23(26)24-17-9-7-15(8-10-17)11-22-25-20-5-3-4-6-21(20)29-22/h3-10,12-14H,11H2,1-2H3,(H,24,26).
What are the key properties of N-[4-(1,3-benzoxazol-2-ylmethyl)phenyl]-3,5-dimethoxybenzamide?
N-[4-(1,3-benzoxazol-2-ylmethyl)phenyl]-3,5-dimethoxybenzamide has a molecular weight of 388.42 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzoxazol-2-ylmethyl)phenyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 54858624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).