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

C14H24N2O — CID 79145769

IUPACN-[[5-(cyclopentylmethyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ncoc1CC1CCCC1
InChIInChI=1S/C14H24N2O/c1-11(2)8-15-9-13-14(17-10-16-13)7-12-5-3-4-6-12/h10-12,15H,3-9H2,1-2H3
InChIKeyYXZNVYPPOKSYQA-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.15
Rot. Bonds6

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

N-[[5-(cyclopentylmethyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine (PubChem CID 79145769) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[[5-(cyclopentylmethyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-(cyclopentylmethyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine
PubChem CID79145769
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-[[5-(cyclopentylmethyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ncoc1CC1CCCC1
InChIInChI=1S/C14H24N2O/c1-11(2)8-15-9-13-14(17-10-16-13)7-12-5-3-4-6-12/h10-12,15H,3-9H2,1-2H3
InChIKeyYXZNVYPPOKSYQA-UHFFFAOYSA-N
XLogP3.15
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(cyclohexylmethyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine
CID 79145110
N-[[5-(cycloheptylmethyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 114459416
N-[[5-(2-adamantyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine
CID 81100600
N-[2-[5-(cyclohexylmethyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-1-amine
CID 65182513
4-(cyclobutylmethyl)-5-propyl-1,3-oxazole
CID 88974502
2-methyl-N-[[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 79144645
N-[[5-(3-methylbutyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 79145469
N-[[3-chloro-6-(cyclopentylmethoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 66324406
N-[[1-(2-cyclopentylethyl)imidazol-2-yl]methyl]-2-methylpropan-1-amine
CID 114191659
N,N-dimethyl-4-[4-[(2-methylpropylamino)methyl]-1,3-oxazol-5-yl]aniline
CID 79146052
N-[(5-cyclooctyl-1,3-oxazol-2-yl)methyl]-2-methylpropan-1-amine
CID 65181968
2-methyl-N-[[5-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 79144831

Frequently Asked Questions

What is the IUPAC name of N-[[5-(cyclopentylmethyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-(cyclopentylmethyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine (CID 79145769) is N-[[5-(cyclopentylmethyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-(cyclopentylmethyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-(cyclopentylmethyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1ncoc1CC1CCCC1.
What is the InChIKey of N-[[5-(cyclopentylmethyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is YXZNVYPPOKSYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-11(2)8-15-9-13-14(17-10-16-13)7-12-5-3-4-6-12/h10-12,15H,3-9H2,1-2H3.
What are the key properties of N-[[5-(cyclopentylmethyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine?
N-[[5-(cyclopentylmethyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 236.36 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(cyclopentylmethyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 79145769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).