N,N-bis(prop-2-enyl)-1,3-benzoxazol-2-amine

C13H14N2O — CID 44603809

IUPACN,N-bis(prop-2-enyl)-1,3-benzoxazol-2-amine
SMILESC=CCN(CC=C)c1nc2ccccc2o1
InChIInChI=1S/C13H14N2O/c1-3-9-15(10-4-2)13-14-11-7-5-6-8-12(11)16-13/h3-8H,1-2,9-10H2
InChIKeyGKJDXKLDZSUFIN-UHFFFAOYSA-N
MW214.27 g/mol
LogP3.01
Rot. Bonds5

About N,N-bis(prop-2-enyl)-1,3-benzoxazol-2-amine

N,N-bis(prop-2-enyl)-1,3-benzoxazol-2-amine (PubChem CID 44603809) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is N,N-bis(prop-2-enyl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN,N-bis(prop-2-enyl)-1,3-benzoxazol-2-amine
PubChem CID44603809
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC NameN,N-bis(prop-2-enyl)-1,3-benzoxazol-2-amine
SMILESC=CCN(CC=C)c1nc2ccccc2o1
InChIInChI=1S/C13H14N2O/c1-3-9-15(10-4-2)13-14-11-7-5-6-8-12(11)16-13/h3-8H,1-2,9-10H2
InChIKeyGKJDXKLDZSUFIN-UHFFFAOYSA-N
XLogP3.01
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoethyl)-N-ethyl-1,3-benzoxazol-2-amine
CID 80672616
N-ethyl-N-(piperidin-4-ylmethyl)-1,3-benzoxazol-2-amine
CID 79719885
N-iodo-N-methyl-1,3-benzoxazol-2-amine
CID 142874451
N,N-diphenyl-1,3-benzoxazol-2-amine
CID 101462195
2-[1,3-benzoxazol-2-yl(benzyl)amino]ethanol
CID 60979792
N'-(1,3-benzoxazol-2-yl)-N'-ethylpropane-1,3-diamine
CID 61034495
N-(3-methylbutyl)-N-phenyl-1,3-benzoxazol-2-amine
CID 57475909
2-methyl-1,3-benzoxazole;prop-1-ene
CID 178101004
methyl 3-[1,3-benzoxazol-2-yl(ethyl)amino]propanoate
CID 62007408
N-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]-1,3-benzoxazol-2-amine
CID 97164630
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-1,3-benzoxazol-2-amine
CID 106620694
4-[[1,3-benzoxazol-2-yl(butyl)amino]methyl]benzonitrile
CID 59164586

Frequently Asked Questions

What is the IUPAC name of N,N-bis(prop-2-enyl)-1,3-benzoxazol-2-amine?
The IUPAC name of N,N-bis(prop-2-enyl)-1,3-benzoxazol-2-amine (CID 44603809) is N,N-bis(prop-2-enyl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for N,N-bis(prop-2-enyl)-1,3-benzoxazol-2-amine?
The canonical SMILES for N,N-bis(prop-2-enyl)-1,3-benzoxazol-2-amine is C=CCN(CC=C)c1nc2ccccc2o1.
What is the InChIKey of N,N-bis(prop-2-enyl)-1,3-benzoxazol-2-amine?
The InChIKey is GKJDXKLDZSUFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-3-9-15(10-4-2)13-14-11-7-5-6-8-12(11)16-13/h3-8H,1-2,9-10H2.
What are the key properties of N,N-bis(prop-2-enyl)-1,3-benzoxazol-2-amine?
N,N-bis(prop-2-enyl)-1,3-benzoxazol-2-amine has a molecular weight of 214.27 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(prop-2-enyl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 44603809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).