N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-1,3-benzoxazol-2-amine

C16H23N3O — CID 106620694

IUPACN-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-1,3-benzoxazol-2-amine
SMILESCC(C)CN(CC1CCCN1)c1nc2ccccc2o1
InChIInChI=1S/C16H23N3O/c1-12(2)10-19(11-13-6-5-9-17-13)16-18-14-7-3-4-8-15(14)20-16/h3-4,7-8,12-13,17H,5-6,9-11H2,1-2H3
InChIKeyKCWOXCMJRSEEME-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.04
Rot. Bonds5

About N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-1,3-benzoxazol-2-amine

N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-1,3-benzoxazol-2-amine (PubChem CID 106620694) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-1,3-benzoxazol-2-amine
PubChem CID106620694
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-1,3-benzoxazol-2-amine
SMILESCC(C)CN(CC1CCCN1)c1nc2ccccc2o1
InChIInChI=1S/C16H23N3O/c1-12(2)10-19(11-13-6-5-9-17-13)16-18-14-7-3-4-8-15(14)20-16/h3-4,7-8,12-13,17H,5-6,9-11H2,1-2H3
InChIKeyKCWOXCMJRSEEME-UHFFFAOYSA-N
XLogP3.04
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(piperidin-2-ylmethyl)-N-propan-2-yl-1,3-benzoxazol-2-amine
CID 106641412
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)quinazolin-4-amine
CID 106620526
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)quinolin-4-amine
CID 106620738
N-(1,3-benzoxazol-2-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106615684
6-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106620736
2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole
CID 61372127
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)aniline
CID 106620669
N-benzyl-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605191
N-ethyl-N-(piperidin-4-ylmethyl)-1,3-benzoxazol-2-amine
CID 79719885
N-(1,3-benzoxazol-2-ylmethyl)-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106631464
2-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 61378673
2-(pyrrolidin-2-ylmethoxy)-1,3-benzoxazole;hydrochloride
CID 71636950

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-1,3-benzoxazol-2-amine?
The IUPAC name of N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-1,3-benzoxazol-2-amine (CID 106620694) is N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-1,3-benzoxazol-2-amine?
The canonical SMILES for N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-1,3-benzoxazol-2-amine is CC(C)CN(CC1CCCN1)c1nc2ccccc2o1.
What is the InChIKey of N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-1,3-benzoxazol-2-amine?
The InChIKey is KCWOXCMJRSEEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12(2)10-19(11-13-6-5-9-17-13)16-18-14-7-3-4-8-15(14)20-16/h3-4,7-8,12-13,17H,5-6,9-11H2,1-2H3.
What are the key properties of N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-1,3-benzoxazol-2-amine?
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-1,3-benzoxazol-2-amine has a molecular weight of 273.38 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 106620694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).