2-[3-[[(1S,3S)-3-(cyclopropylmethylamino)-2,2-dimethylcyclobutyl]methyl]-1,2-oxazol-5-yl]ethanol

C16H26N2O2 — CID 56774288

IUPAC2-[3-[[(1S,3S)-3-(cyclopropylmethylamino)-2,2-dimethylcyclobutyl]methyl]-1,2-oxazol-5-yl]ethanol
SMILESCC1(C)[C@H](Cc2cc(CCO)on2)C[C@@H]1NCC1CC1
InChIInChI=1S/C16H26N2O2/c1-16(2)12(8-15(16)17-10-11-3-4-11)7-13-9-14(5-6-19)20-18-13/h9,11-12,15,17,19H,3-8,10H2,1-2H3/t12-,15+/m1/s1
InChIKeyBCHZLXNFXKXRAW-DOMZBBRYSA-N
MW278.40 g/mol
LogP2.17
Rot. Bonds7

About 2-[3-[[(1S,3S)-3-(cyclopropylmethylamino)-2,2-dimethylcyclobutyl]methyl]-1,2-oxazol-5-yl]ethanol

2-[3-[[(1S,3S)-3-(cyclopropylmethylamino)-2,2-dimethylcyclobutyl]methyl]-1,2-oxazol-5-yl]ethanol (PubChem CID 56774288) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[3-[[(1S,3S)-3-(cyclopropylmethylamino)-2,2-dimethylcyclobutyl]methyl]-1,2-oxazol-5-yl]ethanol.

Molecular Properties

Compound Name2-[3-[[(1S,3S)-3-(cyclopropylmethylamino)-2,2-dimethylcyclobutyl]methyl]-1,2-oxazol-5-yl]ethanol
PubChem CID56774288
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[3-[[(1S,3S)-3-(cyclopropylmethylamino)-2,2-dimethylcyclobutyl]methyl]-1,2-oxazol-5-yl]ethanol
SMILESCC1(C)[C@H](Cc2cc(CCO)on2)C[C@@H]1NCC1CC1
InChIInChI=1S/C16H26N2O2/c1-16(2)12(8-15(16)17-10-11-3-4-11)7-13-9-14(5-6-19)20-18-13/h9,11-12,15,17,19H,3-8,10H2,1-2H3/t12-,15+/m1/s1
InChIKeyBCHZLXNFXKXRAW-DOMZBBRYSA-N
XLogP2.17
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(1S,3S)-3-(cyclopropylmethylamino)-2,2-dimethylcyclobutyl]methyl]-1,2-oxazol-5-yl]ethanol?
The IUPAC name of 2-[3-[[(1S,3S)-3-(cyclopropylmethylamino)-2,2-dimethylcyclobutyl]methyl]-1,2-oxazol-5-yl]ethanol (CID 56774288) is 2-[3-[[(1S,3S)-3-(cyclopropylmethylamino)-2,2-dimethylcyclobutyl]methyl]-1,2-oxazol-5-yl]ethanol.
What is the SMILES notation for 2-[3-[[(1S,3S)-3-(cyclopropylmethylamino)-2,2-dimethylcyclobutyl]methyl]-1,2-oxazol-5-yl]ethanol?
The canonical SMILES for 2-[3-[[(1S,3S)-3-(cyclopropylmethylamino)-2,2-dimethylcyclobutyl]methyl]-1,2-oxazol-5-yl]ethanol is CC1(C)[C@H](Cc2cc(CCO)on2)C[C@@H]1NCC1CC1.
What is the InChIKey of 2-[3-[[(1S,3S)-3-(cyclopropylmethylamino)-2,2-dimethylcyclobutyl]methyl]-1,2-oxazol-5-yl]ethanol?
The InChIKey is BCHZLXNFXKXRAW-DOMZBBRYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-16(2)12(8-15(16)17-10-11-3-4-11)7-13-9-14(5-6-19)20-18-13/h9,11-12,15,17,19H,3-8,10H2,1-2H3/t12-,15+/m1/s1.
What are the key properties of 2-[3-[[(1S,3S)-3-(cyclopropylmethylamino)-2,2-dimethylcyclobutyl]methyl]-1,2-oxazol-5-yl]ethanol?
2-[3-[[(1S,3S)-3-(cyclopropylmethylamino)-2,2-dimethylcyclobutyl]methyl]-1,2-oxazol-5-yl]ethanol has a molecular weight of 278.40 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[(1S,3S)-3-(cyclopropylmethylamino)-2,2-dimethylcyclobutyl]methyl]-1,2-oxazol-5-yl]ethanol is sourced from PubChem (CID 56774288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).