N-[[1-(1,2-oxazol-5-ylmethyl)piperidin-2-yl]methyl]propan-2-amine

C13H23N3O — CID 55256464

IUPACN-[[1-(1,2-oxazol-5-ylmethyl)piperidin-2-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCCN1Cc1ccno1
InChIInChI=1S/C13H23N3O/c1-11(2)14-9-12-5-3-4-8-16(12)10-13-6-7-15-17-13/h6-7,11-12,14H,3-5,8-10H2,1-2H3
InChIKeySTFPQDYGRJYOET-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.03
Rot. Bonds5

About N-[[1-(1,2-oxazol-5-ylmethyl)piperidin-2-yl]methyl]propan-2-amine

N-[[1-(1,2-oxazol-5-ylmethyl)piperidin-2-yl]methyl]propan-2-amine (PubChem CID 55256464) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[[1-(1,2-oxazol-5-ylmethyl)piperidin-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(1,2-oxazol-5-ylmethyl)piperidin-2-yl]methyl]propan-2-amine
PubChem CID55256464
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-[[1-(1,2-oxazol-5-ylmethyl)piperidin-2-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCCN1Cc1ccno1
InChIInChI=1S/C13H23N3O/c1-11(2)14-9-12-5-3-4-8-16(12)10-13-6-7-15-17-13/h6-7,11-12,14H,3-5,8-10H2,1-2H3
InChIKeySTFPQDYGRJYOET-UHFFFAOYSA-N
XLogP2.03
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(1,2-oxazol-5-ylmethyl)piperidin-3-yl]methyl]propan-2-amine
CID 63241848
N-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine
CID 62581436
5-[(2-methylpyrrolidin-1-yl)methyl]-1,2-oxazole
CID 130739945
N-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]methyl]propan-2-amine
CID 63848539
N-[[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine
CID 62580001
N-[[5-[(2-ethylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 55074345
N-[[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]methyl]propan-2-amine
CID 114346179
N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62580182
N-[[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62581623
N-[[1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine
CID 62581090
2-fluoro-5-[[2-[(propan-2-ylamino)methyl]piperidin-1-yl]methyl]benzonitrile
CID 107887854
N-[[1-[(2-methylphenyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine
CID 62580367

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1,2-oxazol-5-ylmethyl)piperidin-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(1,2-oxazol-5-ylmethyl)piperidin-2-yl]methyl]propan-2-amine (CID 55256464) is N-[[1-(1,2-oxazol-5-ylmethyl)piperidin-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(1,2-oxazol-5-ylmethyl)piperidin-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(1,2-oxazol-5-ylmethyl)piperidin-2-yl]methyl]propan-2-amine is CC(C)NCC1CCCCN1Cc1ccno1.
What is the InChIKey of N-[[1-(1,2-oxazol-5-ylmethyl)piperidin-2-yl]methyl]propan-2-amine?
The InChIKey is STFPQDYGRJYOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-11(2)14-9-12-5-3-4-8-16(12)10-13-6-7-15-17-13/h6-7,11-12,14H,3-5,8-10H2,1-2H3.
What are the key properties of N-[[1-(1,2-oxazol-5-ylmethyl)piperidin-2-yl]methyl]propan-2-amine?
N-[[1-(1,2-oxazol-5-ylmethyl)piperidin-2-yl]methyl]propan-2-amine has a molecular weight of 237.35 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1,2-oxazol-5-ylmethyl)piperidin-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 55256464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).