N-(2-methyl-1,3-benzoxazol-5-yl)-4-phenylmethoxybenzamide

C22H18N2O3 — CID 35591328

IUPACN-(2-methyl-1,3-benzoxazol-5-yl)-4-phenylmethoxybenzamide
SMILESCc1nc2cc(NC(=O)c3ccc(OCc4ccccc4)cc3)ccc2o1
InChIInChI=1S/C22H18N2O3/c1-15-23-20-13-18(9-12-21(20)27-15)24-22(25)17-7-10-19(11-8-17)26-14-16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,24,25)
InChIKeyLBSWNSHBMXAKRX-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.97
Rot. Bonds5

About N-(2-methyl-1,3-benzoxazol-5-yl)-4-phenylmethoxybenzamide

N-(2-methyl-1,3-benzoxazol-5-yl)-4-phenylmethoxybenzamide (PubChem CID 35591328) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzoxazol-5-yl)-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzoxazol-5-yl)-4-phenylmethoxybenzamide
PubChem CID35591328
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC NameN-(2-methyl-1,3-benzoxazol-5-yl)-4-phenylmethoxybenzamide
SMILESCc1nc2cc(NC(=O)c3ccc(OCc4ccccc4)cc3)ccc2o1
InChIInChI=1S/C22H18N2O3/c1-15-23-20-13-18(9-12-21(20)27-15)24-22(25)17-7-10-19(11-8-17)26-14-16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,24,25)
InChIKeyLBSWNSHBMXAKRX-UHFFFAOYSA-N
XLogP4.97
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-1,3-benzoxazol-5-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 24612049
N-(2-benzyl-1,3-benzoxazol-5-yl)-4-butoxybenzamide
CID 17163160
N-(4-phenylmethoxyphenyl)-1,3-benzoxazole-5-carboxamide
CID 110388232
N-(2-benzyl-1,3-benzoxazol-5-yl)-4-(2-methylpropoxy)benzamide
CID 17163233
4-phenylmethoxy-N-quinazolin-7-ylbenzamide
CID 162521669
4-(acetamidomethyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 34304149
N-(2-methyl-1,3-benzoxazol-5-yl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 37040636
4-ethoxy-N-[(2S)-3-methyl-1-[(2-methyl-1,3-benzoxazol-5-yl)amino]-1-oxobutan-2-yl]benzamide
CID 34747353
N-(2-tert-butyl-1,3-benzoxazol-5-yl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 46401890
1-benzyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 24622636
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 46416378
N-[[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]carbamothioyl]-4-phenylmethoxybenzamide
CID 21169614

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzoxazol-5-yl)-4-phenylmethoxybenzamide?
The IUPAC name of N-(2-methyl-1,3-benzoxazol-5-yl)-4-phenylmethoxybenzamide (CID 35591328) is N-(2-methyl-1,3-benzoxazol-5-yl)-4-phenylmethoxybenzamide.
What is the SMILES notation for N-(2-methyl-1,3-benzoxazol-5-yl)-4-phenylmethoxybenzamide?
The canonical SMILES for N-(2-methyl-1,3-benzoxazol-5-yl)-4-phenylmethoxybenzamide is Cc1nc2cc(NC(=O)c3ccc(OCc4ccccc4)cc3)ccc2o1.
What is the InChIKey of N-(2-methyl-1,3-benzoxazol-5-yl)-4-phenylmethoxybenzamide?
The InChIKey is LBSWNSHBMXAKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3/c1-15-23-20-13-18(9-12-21(20)27-15)24-22(25)17-7-10-19(11-8-17)26-14-16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,24,25).
What are the key properties of N-(2-methyl-1,3-benzoxazol-5-yl)-4-phenylmethoxybenzamide?
N-(2-methyl-1,3-benzoxazol-5-yl)-4-phenylmethoxybenzamide has a molecular weight of 358.40 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzoxazol-5-yl)-4-phenylmethoxybenzamide is sourced from PubChem (CID 35591328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).