N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide

C18H18N2O3 — CID 5017704

IUPACN-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide
SMILESCOc1ccc2oc(-c3ccc(NC(=O)C(C)C)cc3)nc2c1
InChIInChI=1S/C18H18N2O3/c1-11(2)17(21)19-13-6-4-12(5-7-13)18-20-15-10-14(22-3)8-9-16(15)23-18/h4-11H,1-3H3,(H,19,21)
InChIKeyMTYLCFIRWRVDMQ-UHFFFAOYSA-N
MW310.35 g/mol
LogP4.10
Rot. Bonds4

About N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide

N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide (PubChem CID 5017704) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide
PubChem CID5017704
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide
SMILESCOc1ccc2oc(-c3ccc(NC(=O)C(C)C)cc3)nc2c1
InChIInChI=1S/C18H18N2O3/c1-11(2)17(21)19-13-6-4-12(5-7-13)18-20-15-10-14(22-3)8-9-16(15)23-18/h4-11H,1-3H3,(H,19,21)
InChIKeyMTYLCFIRWRVDMQ-UHFFFAOYSA-N
XLogP4.10
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 5017384
2-(2,4-dichlorophenoxy)-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]propanamide
CID 4005269
N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 1146260
N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-4-(2-methylpropoxy)benzamide
CID 3969096
3-chloro-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 4672892
2,3,5,6-tetrafluoro-4-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 17110623
N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-2-phenoxyacetamide
CID 4679023
2-(2,4-dichlorophenoxy)-N-[[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]propanamide
CID 4691395
N-[3-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methylpropanamide
CID 73254656
3-fluoro-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 5234955
2-methyl-N-[[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]propanamide
CID 17099656
4-chloro-N-[[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide
CID 3899109

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide (CID 5017704) is N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide is COc1ccc2oc(-c3ccc(NC(=O)C(C)C)cc3)nc2c1.
What is the InChIKey of N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide?
The InChIKey is MTYLCFIRWRVDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-11(2)17(21)19-13-6-4-12(5-7-13)18-20-15-10-14(22-3)8-9-16(15)23-18/h4-11H,1-3H3,(H,19,21).
What are the key properties of N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide?
N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide has a molecular weight of 310.35 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide is sourced from PubChem (CID 5017704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).