N-[3-(1,3-benzoxazol-2-yl)propyl]formamide

C11H12N2O2 — CID 87717717

IUPACN-[3-(1,3-benzoxazol-2-yl)propyl]formamide
SMILESO=CNCCCc1nc2ccccc2o1
InChIInChI=1S/C11H12N2O2/c14-8-12-7-3-6-11-13-9-4-1-2-5-10(9)15-11/h1-2,4-5,8H,3,6-7H2,(H,12,14)
InChIKeyWQPZIVFPCXGRPJ-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.51
Rot. Bonds5

About N-[3-(1,3-benzoxazol-2-yl)propyl]formamide

N-[3-(1,3-benzoxazol-2-yl)propyl]formamide (PubChem CID 87717717) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is N-[3-(1,3-benzoxazol-2-yl)propyl]formamide.

Molecular Properties

Compound NameN-[3-(1,3-benzoxazol-2-yl)propyl]formamide
PubChem CID87717717
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC NameN-[3-(1,3-benzoxazol-2-yl)propyl]formamide
SMILESO=CNCCCc1nc2ccccc2o1
InChIInChI=1S/C11H12N2O2/c14-8-12-7-3-6-11-13-9-4-1-2-5-10(9)15-11/h1-2,4-5,8H,3,6-7H2,(H,12,14)
InChIKeyWQPZIVFPCXGRPJ-UHFFFAOYSA-N
XLogP1.51
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(1,3-benzoxazol-2-ylamino)butyl]formamide
CID 87717718
4-[3-[3-(1,3-benzoxazol-2-yl)propylamino]propoxy]benzoic acid
CID 69381398
2-pentyl-1,3-benzoxazole
CID 23425
6-(1,3-benzoxazol-2-yl)hexanoic acid
CID 18979147
5-(1,3-benzoxazol-2-yl)pentanenitrile
CID 121008202
N-[3-(1,3-benzoxazol-2-yl)propyl]-3-(2-methylpyrazol-3-yl)propanamide
CID 118761451
N-[3-(1,3-benzoxazol-2-yl)propyl]-3-(methanesulfonamido)propanamide
CID 91838527
3-(1,3-benzoxazol-2-yl)propanoic acid
CID 2474218
2-[4-[5-(1,3-benzoxazol-2-yl)pentylamino]butylsulfanyl]benzoic acid
CID 69381787
amino 4-(1,3-benzoxazol-2-yl)butanoate
CID 174418719
1,3-benzoxazol-2-ylmethanesulfonic acid
CID 12745947
N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-phenylacetamide
CID 110711803

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzoxazol-2-yl)propyl]formamide?
The IUPAC name of N-[3-(1,3-benzoxazol-2-yl)propyl]formamide (CID 87717717) is N-[3-(1,3-benzoxazol-2-yl)propyl]formamide.
What is the SMILES notation for N-[3-(1,3-benzoxazol-2-yl)propyl]formamide?
The canonical SMILES for N-[3-(1,3-benzoxazol-2-yl)propyl]formamide is O=CNCCCc1nc2ccccc2o1.
What is the InChIKey of N-[3-(1,3-benzoxazol-2-yl)propyl]formamide?
The InChIKey is WQPZIVFPCXGRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c14-8-12-7-3-6-11-13-9-4-1-2-5-10(9)15-11/h1-2,4-5,8H,3,6-7H2,(H,12,14).
What are the key properties of N-[3-(1,3-benzoxazol-2-yl)propyl]formamide?
N-[3-(1,3-benzoxazol-2-yl)propyl]formamide has a molecular weight of 204.23 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzoxazol-2-yl)propyl]formamide is sourced from PubChem (CID 87717717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).