N-[[5-(cycloheptylmethyl)-1,3-oxazol-4-yl]methyl]propan-2-amine

C15H26N2O — CID 114459416

IUPACN-[[5-(cycloheptylmethyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ncoc1CC1CCCCCC1
InChIInChI=1S/C15H26N2O/c1-12(2)16-10-14-15(18-11-17-14)9-13-7-5-3-4-6-8-13/h11-13,16H,3-10H2,1-2H3
InChIKeyWURDQWVWVZXVJI-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.69
Rot. Bonds5

About N-[[5-(cycloheptylmethyl)-1,3-oxazol-4-yl]methyl]propan-2-amine

N-[[5-(cycloheptylmethyl)-1,3-oxazol-4-yl]methyl]propan-2-amine (PubChem CID 114459416) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[[5-(cycloheptylmethyl)-1,3-oxazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(cycloheptylmethyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
PubChem CID114459416
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-[[5-(cycloheptylmethyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ncoc1CC1CCCCCC1
InChIInChI=1S/C15H26N2O/c1-12(2)16-10-14-15(18-11-17-14)9-13-7-5-3-4-6-8-13/h11-13,16H,3-10H2,1-2H3
InChIKeyWURDQWVWVZXVJI-UHFFFAOYSA-N
XLogP3.69
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(cycloheptylmethyl)-1,3-oxazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(cycloheptylmethyl)-1,3-oxazol-4-yl]methyl]propan-2-amine (CID 114459416) is N-[[5-(cycloheptylmethyl)-1,3-oxazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(cycloheptylmethyl)-1,3-oxazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(cycloheptylmethyl)-1,3-oxazol-4-yl]methyl]propan-2-amine is CC(C)NCc1ncoc1CC1CCCCCC1.
What is the InChIKey of N-[[5-(cycloheptylmethyl)-1,3-oxazol-4-yl]methyl]propan-2-amine?
The InChIKey is WURDQWVWVZXVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-12(2)16-10-14-15(18-11-17-14)9-13-7-5-3-4-6-8-13/h11-13,16H,3-10H2,1-2H3.
What are the key properties of N-[[5-(cycloheptylmethyl)-1,3-oxazol-4-yl]methyl]propan-2-amine?
N-[[5-(cycloheptylmethyl)-1,3-oxazol-4-yl]methyl]propan-2-amine has a molecular weight of 250.39 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(cycloheptylmethyl)-1,3-oxazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 114459416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).