N-(piperidin-2-ylmethyl)-N-propan-2-yl-1,3-benzoxazol-2-amine

C16H23N3O — CID 106641412

IUPACN-(piperidin-2-ylmethyl)-N-propan-2-yl-1,3-benzoxazol-2-amine
SMILESCC(C)N(CC1CCCCN1)c1nc2ccccc2o1
InChIInChI=1S/C16H23N3O/c1-12(2)19(11-13-7-5-6-10-17-13)16-18-14-8-3-4-9-15(14)20-16/h3-4,8-9,12-13,17H,5-7,10-11H2,1-2H3
InChIKeyRWWHBHTZLWSYRB-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.18
Rot. Bonds4

About N-(piperidin-2-ylmethyl)-N-propan-2-yl-1,3-benzoxazol-2-amine

N-(piperidin-2-ylmethyl)-N-propan-2-yl-1,3-benzoxazol-2-amine (PubChem CID 106641412) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(piperidin-2-ylmethyl)-N-propan-2-yl-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-(piperidin-2-ylmethyl)-N-propan-2-yl-1,3-benzoxazol-2-amine
PubChem CID106641412
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-(piperidin-2-ylmethyl)-N-propan-2-yl-1,3-benzoxazol-2-amine
SMILESCC(C)N(CC1CCCCN1)c1nc2ccccc2o1
InChIInChI=1S/C16H23N3O/c1-12(2)19(11-13-7-5-6-10-17-13)16-18-14-8-3-4-9-15(14)20-16/h3-4,8-9,12-13,17H,5-7,10-11H2,1-2H3
InChIKeyRWWHBHTZLWSYRB-UHFFFAOYSA-N
XLogP3.18
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-1,3-benzoxazol-2-amine
CID 106620694
N-(1,3-benzoxazol-2-ylmethyl)-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106631464
2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole
CID 61372127
2-(2-piperidin-2-ylethyl)-1,3-benzoxazole
CID 62217382
N-(1,3-benzoxazol-2-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106615684
N-(piperidin-2-ylmethyl)-N-propan-2-ylpyrido[2,3-b]pyrazin-6-amine
CID 106641355
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cinnolin-4-amine
CID 106619114
6-[piperidin-2-ylmethyl(propan-2-yl)amino]pyridine-2-carboxamide
CID 106641492
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridin-4-amine
CID 83837370
N-[[(2R)-pyrrolidin-2-yl]methyl]-1,3-benzoxazole-2-sulfonamide
CID 97166074
2-[piperidin-2-ylmethyl(propan-2-yl)amino]pyrimidine-4-carbonitrile
CID 107552788
N-cyclohexyl-N-ethyl-1,3-benzoxazol-2-amine
CID 52672975

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-2-ylmethyl)-N-propan-2-yl-1,3-benzoxazol-2-amine?
The IUPAC name of N-(piperidin-2-ylmethyl)-N-propan-2-yl-1,3-benzoxazol-2-amine (CID 106641412) is N-(piperidin-2-ylmethyl)-N-propan-2-yl-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-(piperidin-2-ylmethyl)-N-propan-2-yl-1,3-benzoxazol-2-amine?
The canonical SMILES for N-(piperidin-2-ylmethyl)-N-propan-2-yl-1,3-benzoxazol-2-amine is CC(C)N(CC1CCCCN1)c1nc2ccccc2o1.
What is the InChIKey of N-(piperidin-2-ylmethyl)-N-propan-2-yl-1,3-benzoxazol-2-amine?
The InChIKey is RWWHBHTZLWSYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12(2)19(11-13-7-5-6-10-17-13)16-18-14-8-3-4-9-15(14)20-16/h3-4,8-9,12-13,17H,5-7,10-11H2,1-2H3.
What are the key properties of N-(piperidin-2-ylmethyl)-N-propan-2-yl-1,3-benzoxazol-2-amine?
N-(piperidin-2-ylmethyl)-N-propan-2-yl-1,3-benzoxazol-2-amine has a molecular weight of 273.38 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-2-ylmethyl)-N-propan-2-yl-1,3-benzoxazol-2-amine is sourced from PubChem (CID 106641412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).