N-ethyl-N-[[3-[(propan-2-ylamino)methyl]-1,2-oxazol-5-yl]methyl]cyclohexanamine

C16H29N3O — CID 62423206

IUPACN-ethyl-N-[[3-[(propan-2-ylamino)methyl]-1,2-oxazol-5-yl]methyl]cyclohexanamine
SMILESCCN(Cc1cc(CNC(C)C)no1)C1CCCCC1
InChIInChI=1S/C16H29N3O/c1-4-19(15-8-6-5-7-9-15)12-16-10-14(18-20-16)11-17-13(2)3/h10,13,15,17H,4-9,11-12H2,1-3H3
InChIKeyYHXKEGVMAGESPX-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.33
Rot. Bonds7

About N-ethyl-N-[[3-[(propan-2-ylamino)methyl]-1,2-oxazol-5-yl]methyl]cyclohexanamine

N-ethyl-N-[[3-[(propan-2-ylamino)methyl]-1,2-oxazol-5-yl]methyl]cyclohexanamine (PubChem CID 62423206) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-ethyl-N-[[3-[(propan-2-ylamino)methyl]-1,2-oxazol-5-yl]methyl]cyclohexanamine.

Molecular Properties

Compound NameN-ethyl-N-[[3-[(propan-2-ylamino)methyl]-1,2-oxazol-5-yl]methyl]cyclohexanamine
PubChem CID62423206
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-ethyl-N-[[3-[(propan-2-ylamino)methyl]-1,2-oxazol-5-yl]methyl]cyclohexanamine
SMILESCCN(Cc1cc(CNC(C)C)no1)C1CCCCC1
InChIInChI=1S/C16H29N3O/c1-4-19(15-8-6-5-7-9-15)12-16-10-14(18-20-16)11-17-13(2)3/h10,13,15,17H,4-9,11-12H2,1-3H3
InChIKeyYHXKEGVMAGESPX-UHFFFAOYSA-N
XLogP3.33
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-N,5-dimethyl-3-isoxazolecarboxamide
CID 2814457
1,1,1-Trifluoro-3-[(5-methyl-1,2-oxazol-3-yl)methylamino]propan-2-ol
CID 2738631
3-Methyl-N-propylisoxazole-5-carboxamide
CID 9551512
3-methyl-N-propan-2-yl-1,2-oxazole-5-carboxamide
CID 3245069
N-cyclohexyl-3-methyl-1,2-oxazole-5-carboxamide
CID 16194128
N-(sec-butyl)-3-methylisoxazole-5-carboxamide
CID 9551511
3-methyl-5-[[(2E)-2-(nitromethylidene)imidazolidin-1-yl]methyl]-1,2-oxazole
CID 14009815
N-butyl-3-methyl-1,2-oxazole-5-carboxamide
CID 16194127
Isoxazole, 5-methyl-3-(piperidinomethyl)-, hydrochloride
CID 13673
((2S,4S)-4-fluoro-1-((3-methyl-1,2-oxazol-5-yl)methyl)pyrrolidin-2-yl)methanamine
CID 119030869
Methyl((5-methyl-1,2-oxazol-3-yl)methyl)amine
CID 23006273
1-(3-Methyl-1,2-oxazole-5-carbonyl)piperazine hydrochloride
CID 42954057

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[3-[(propan-2-ylamino)methyl]-1,2-oxazol-5-yl]methyl]cyclohexanamine?
The IUPAC name of N-ethyl-N-[[3-[(propan-2-ylamino)methyl]-1,2-oxazol-5-yl]methyl]cyclohexanamine (CID 62423206) is N-ethyl-N-[[3-[(propan-2-ylamino)methyl]-1,2-oxazol-5-yl]methyl]cyclohexanamine.
What is the SMILES notation for N-ethyl-N-[[3-[(propan-2-ylamino)methyl]-1,2-oxazol-5-yl]methyl]cyclohexanamine?
The canonical SMILES for N-ethyl-N-[[3-[(propan-2-ylamino)methyl]-1,2-oxazol-5-yl]methyl]cyclohexanamine is CCN(Cc1cc(CNC(C)C)no1)C1CCCCC1.
What is the InChIKey of N-ethyl-N-[[3-[(propan-2-ylamino)methyl]-1,2-oxazol-5-yl]methyl]cyclohexanamine?
The InChIKey is YHXKEGVMAGESPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-4-19(15-8-6-5-7-9-15)12-16-10-14(18-20-16)11-17-13(2)3/h10,13,15,17H,4-9,11-12H2,1-3H3.
What are the key properties of N-ethyl-N-[[3-[(propan-2-ylamino)methyl]-1,2-oxazol-5-yl]methyl]cyclohexanamine?
N-ethyl-N-[[3-[(propan-2-ylamino)methyl]-1,2-oxazol-5-yl]methyl]cyclohexanamine has a molecular weight of 279.43 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[3-[(propan-2-ylamino)methyl]-1,2-oxazol-5-yl]methyl]cyclohexanamine is sourced from PubChem (CID 62423206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).