N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]formamide

C12H14N2O2 — CID 146613972

IUPACN-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]formamide
SMILESCc1cccc2c(C(C)(C)NC=O)noc12
InChIInChI=1S/C12H14N2O2/c1-8-5-4-6-9-10(8)16-14-11(9)12(2,3)13-7-15/h4-7H,1-3H3,(H,13,15)
InChIKeySCKHBAYNXYWLLD-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.12
Rot. Bonds3

About N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]formamide

N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]formamide (PubChem CID 146613972) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]formamide.

Molecular Properties

Compound NameN-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]formamide
PubChem CID146613972
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC NameN-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]formamide
SMILESCc1cccc2c(C(C)(C)NC=O)noc12
InChIInChI=1S/C12H14N2O2/c1-8-5-4-6-9-10(8)16-14-11(9)12(2,3)13-7-15/h4-7H,1-3H3,(H,13,15)
InChIKeySCKHBAYNXYWLLD-UHFFFAOYSA-N
XLogP2.12
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]formamide?
The IUPAC name of N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]formamide (CID 146613972) is N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]formamide.
What is the SMILES notation for N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]formamide?
The canonical SMILES for N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]formamide is Cc1cccc2c(C(C)(C)NC=O)noc12.
What is the InChIKey of N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]formamide?
The InChIKey is SCKHBAYNXYWLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-8-5-4-6-9-10(8)16-14-11(9)12(2,3)13-7-15/h4-7H,1-3H3,(H,13,15).
What are the key properties of N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]formamide?
N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]formamide has a molecular weight of 218.26 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]formamide is sourced from PubChem (CID 146613972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).