N-(3-methylpentan-2-yl)-1,3-benzoxazol-2-amine

C13H18N2O — CID 61397667

IUPACN-(3-methylpentan-2-yl)-1,3-benzoxazol-2-amine
SMILESCCC(C)C(C)Nc1nc2ccccc2o1
InChIInChI=1S/C13H18N2O/c1-4-9(2)10(3)14-13-15-11-7-5-6-8-12(11)16-13/h5-10H,4H2,1-3H3,(H,14,15)
InChIKeyPSETUMMULXKHCF-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.67
Rot. Bonds4

About N-(3-methylpentan-2-yl)-1,3-benzoxazol-2-amine

N-(3-methylpentan-2-yl)-1,3-benzoxazol-2-amine (PubChem CID 61397667) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-(3-methylpentan-2-yl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-(3-methylpentan-2-yl)-1,3-benzoxazol-2-amine
PubChem CID61397667
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-(3-methylpentan-2-yl)-1,3-benzoxazol-2-amine
SMILESCCC(C)C(C)Nc1nc2ccccc2o1
InChIInChI=1S/C13H18N2O/c1-4-9(2)10(3)14-13-15-11-7-5-6-8-12(11)16-13/h5-10H,4H2,1-3H3,(H,14,15)
InChIKeyPSETUMMULXKHCF-UHFFFAOYSA-N
XLogP3.67
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-methylpentan-2-yl)-1,3-benzoxazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-phenylethyl)-1,3-benzoxazol-2-amine
CID 47146208
N-(2-chloropropyl)-1,3-benzoxazol-2-amine
CID 65027470
N-(1-methoxyhexan-2-yl)-1,3-benzoxazol-2-amine
CID 133311700
N-propyl-1,3-benzoxazol-2-amine
CID 584386
N-benzhydryl-1,3-benzoxazol-2-amine
CID 24632077
N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzoxazol-2-amine
CID 102913887
N-(5-methylhexyl)-1,3-benzoxazol-2-amine
CID 79003498
N-[3-(2-methylpropoxy)propyl]-1,3-benzoxazol-2-amine
CID 103609074
N-(7-methyloctyl)-1,3-benzoxazol-2-amine
CID 107816169
1-O-ethyl 4-O-methyl (2R)-2-(1,3-benzoxazol-2-ylamino)butanedioate
CID 640725
N-[1-(1,3,5-trimethylpyrazol-4-yl)propyl]-1,3-benzoxazol-2-amine
CID 133331856
N-[4-(furan-2-yl)butan-2-yl]-1,3-benzoxazol-2-amine
CID 60715726

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpentan-2-yl)-1,3-benzoxazol-2-amine?
The IUPAC name of N-(3-methylpentan-2-yl)-1,3-benzoxazol-2-amine (CID 61397667) is N-(3-methylpentan-2-yl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-(3-methylpentan-2-yl)-1,3-benzoxazol-2-amine?
The canonical SMILES for N-(3-methylpentan-2-yl)-1,3-benzoxazol-2-amine is CCC(C)C(C)Nc1nc2ccccc2o1.
What is the InChIKey of N-(3-methylpentan-2-yl)-1,3-benzoxazol-2-amine?
The InChIKey is PSETUMMULXKHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-4-9(2)10(3)14-13-15-11-7-5-6-8-12(11)16-13/h5-10H,4H2,1-3H3,(H,14,15).
What are the key properties of N-(3-methylpentan-2-yl)-1,3-benzoxazol-2-amine?
N-(3-methylpentan-2-yl)-1,3-benzoxazol-2-amine has a molecular weight of 218.30 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpentan-2-yl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 61397667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).