N-(1,3-benzoxazol-2-ylmethyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide

C17H19N3O3 — CID 71852224

IUPACN-(1,3-benzoxazol-2-ylmethyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide
SMILESCc1noc(C)c1C(C)C(=O)N(C)Cc1nc2ccccc2o1
InChIInChI=1S/C17H19N3O3/c1-10(16-11(2)19-23-12(16)3)17(21)20(4)9-15-18-13-7-5-6-8-14(13)22-15/h5-8,10H,9H2,1-4H3
InChIKeyHIWWCCBUDSCQEA-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.19
Rot. Bonds4

About N-(1,3-benzoxazol-2-ylmethyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide

N-(1,3-benzoxazol-2-ylmethyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide (PubChem CID 71852224) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-(1,3-benzoxazol-2-ylmethyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-(1,3-benzoxazol-2-ylmethyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide
PubChem CID71852224
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-(1,3-benzoxazol-2-ylmethyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide
SMILESCc1noc(C)c1C(C)C(=O)N(C)Cc1nc2ccccc2o1
InChIInChI=1S/C17H19N3O3/c1-10(16-11(2)19-23-12(16)3)17(21)20(4)9-15-18-13-7-5-6-8-14(13)22-15/h5-8,10H,9H2,1-4H3
InChIKeyHIWWCCBUDSCQEA-UHFFFAOYSA-N
XLogP3.19
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzoxazol-2-ylmethyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide?
The IUPAC name of N-(1,3-benzoxazol-2-ylmethyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide (CID 71852224) is N-(1,3-benzoxazol-2-ylmethyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide.
What is the SMILES notation for N-(1,3-benzoxazol-2-ylmethyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide?
The canonical SMILES for N-(1,3-benzoxazol-2-ylmethyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide is Cc1noc(C)c1C(C)C(=O)N(C)Cc1nc2ccccc2o1.
What is the InChIKey of N-(1,3-benzoxazol-2-ylmethyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide?
The InChIKey is HIWWCCBUDSCQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-10(16-11(2)19-23-12(16)3)17(21)20(4)9-15-18-13-7-5-6-8-14(13)22-15/h5-8,10H,9H2,1-4H3.
What are the key properties of N-(1,3-benzoxazol-2-ylmethyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide?
N-(1,3-benzoxazol-2-ylmethyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide has a molecular weight of 313.36 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzoxazol-2-ylmethyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide is sourced from PubChem (CID 71852224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).