N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(2-methylpropoxy)benzamide

C21H22N2O3 — CID 46424527

IUPACN-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(2-methylpropoxy)benzamide
SMILESCC(C)COc1cccc(C(=O)Nc2ccc3oc(C4CC4)nc3c2)c1
InChIInChI=1S/C21H22N2O3/c1-13(2)12-25-17-5-3-4-15(10-17)20(24)22-16-8-9-19-18(11-16)23-21(26-19)14-6-7-14/h3-5,8-11,13-14H,6-7,12H2,1-2H3,(H,22,24)
InChIKeySUXSCNBYFSVAHF-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.99
Rot. Bonds6

About N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(2-methylpropoxy)benzamide

N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(2-methylpropoxy)benzamide (PubChem CID 46424527) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(2-methylpropoxy)benzamide
PubChem CID46424527
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(2-methylpropoxy)benzamide
SMILESCC(C)COc1cccc(C(=O)Nc2ccc3oc(C4CC4)nc3c2)c1
InChIInChI=1S/C21H22N2O3/c1-13(2)12-25-17-5-3-4-15(10-17)20(24)22-16-8-9-19-18(11-16)23-21(26-19)14-6-7-14/h3-5,8-11,13-14H,6-7,12H2,1-2H3,(H,22,24)
InChIKeySUXSCNBYFSVAHF-UHFFFAOYSA-N
XLogP4.99
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methylpropoxy)-N-[2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 17163393
N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-3-(2-methylpropoxy)benzamide
CID 17128533
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-4-propan-2-ylsulfanylbenzamide
CID 55851729
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-phenoxypropanamide
CID 86930482
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 46416202
(2S,3S)-2-amino-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-methylpentanamide
CID 61178533
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-naphthalen-2-yloxyacetamide
CID 46424456
3-ethoxy-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 17127526
3-(2-methylpropoxy)-N-(1H-pyrazol-4-yl)benzamide
CID 43429540
N-(2-benzyl-1,3-benzoxazol-5-yl)-4-(2-methylpropoxy)benzamide
CID 17163233
N-(2-phenyl-1,3-benzoxazol-5-yl)-3-propan-2-yloxybenzamide
CID 15997458
N-[4-(2-methylpropoxy)phenyl]-3-propan-2-yloxybenzamide
CID 17142469

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(2-methylpropoxy)benzamide?
The IUPAC name of N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(2-methylpropoxy)benzamide (CID 46424527) is N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(2-methylpropoxy)benzamide?
The canonical SMILES for N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(2-methylpropoxy)benzamide is CC(C)COc1cccc(C(=O)Nc2ccc3oc(C4CC4)nc3c2)c1.
What is the InChIKey of N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(2-methylpropoxy)benzamide?
The InChIKey is SUXSCNBYFSVAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-13(2)12-25-17-5-3-4-15(10-17)20(24)22-16-8-9-19-18(11-16)23-21(26-19)14-6-7-14/h3-5,8-11,13-14H,6-7,12H2,1-2H3,(H,22,24).
What are the key properties of N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(2-methylpropoxy)benzamide?
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(2-methylpropoxy)benzamide has a molecular weight of 350.42 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(2-methylpropoxy)benzamide is sourced from PubChem (CID 46424527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).