N-(2-methyl-1,3-benzoxazol-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide

C21H24N2O3 — CID 55821367

IUPACN-(2-methyl-1,3-benzoxazol-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
SMILESCc1ccc(C(C)C)c(OC(C)C(=O)Nc2ccc3oc(C)nc3c2)c1
InChIInChI=1S/C21H24N2O3/c1-12(2)17-8-6-13(3)10-20(17)25-14(4)21(24)23-16-7-9-19-18(11-16)22-15(5)26-19/h6-12,14H,1-5H3,(H,23,24)
InChIKeyKCNYZSGEFDUCGB-UHFFFAOYSA-N
MW352.43 g/mol
LogP4.97
Rot. Bonds5

About N-(2-methyl-1,3-benzoxazol-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide

N-(2-methyl-1,3-benzoxazol-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide (PubChem CID 55821367) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzoxazol-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzoxazol-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
PubChem CID55821367
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-(2-methyl-1,3-benzoxazol-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
SMILESCc1ccc(C(C)C)c(OC(C)C(=O)Nc2ccc3oc(C)nc3c2)c1
InChIInChI=1S/C21H24N2O3/c1-12(2)17-8-6-13(3)10-20(17)25-14(4)21(24)23-16-7-9-19-18(11-16)22-15(5)26-19/h6-12,14H,1-5H3,(H,23,24)
InChIKeyKCNYZSGEFDUCGB-UHFFFAOYSA-N
XLogP4.97
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 61274155
(2R)-2-(4-bromophenoxy)-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 25474142
N-(3,4-difluorophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133219312
2-bromo-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 107903105
(2S)-2-amino-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide
CID 61274361
(2S)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
CID 100558876
(2R)-N-(3-methoxyphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 95310662
3-amino-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide;dihydrochloride
CID 120502568
ethyl 4-[2-(5-methyl-2-propan-2-ylphenoxy)propanoylamino]benzoate
CID 133162806
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133160353
N-[4-(cyanomethyl)phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133261993
2-(5-methyl-2-propan-2-ylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 133166790

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzoxazol-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?
The IUPAC name of N-(2-methyl-1,3-benzoxazol-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide (CID 55821367) is N-(2-methyl-1,3-benzoxazol-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-(2-methyl-1,3-benzoxazol-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?
The canonical SMILES for N-(2-methyl-1,3-benzoxazol-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide is Cc1ccc(C(C)C)c(OC(C)C(=O)Nc2ccc3oc(C)nc3c2)c1.
What is the InChIKey of N-(2-methyl-1,3-benzoxazol-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?
The InChIKey is KCNYZSGEFDUCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-12(2)17-8-6-13(3)10-20(17)25-14(4)21(24)23-16-7-9-19-18(11-16)22-15(5)26-19/h6-12,14H,1-5H3,(H,23,24).
What are the key properties of N-(2-methyl-1,3-benzoxazol-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?
N-(2-methyl-1,3-benzoxazol-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide has a molecular weight of 352.43 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)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 55821367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).