(6S)-1-cyclopentyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,4-diazepan-6-ol

C15H25N3O2 — CID 99973824

IUPAC(6S)-1-cyclopentyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,4-diazepan-6-ol
SMILESCc1cc(CN2CCN(C3CCCC3)C[C@@H](O)C2)on1
InChIInChI=1S/C15H25N3O2/c1-12-8-15(20-16-12)11-17-6-7-18(10-14(19)9-17)13-4-2-3-5-13/h8,13-14,19H,2-7,9-11H2,1H3/t14-/m0/s1
InChIKeyYYTZJOZEHGVEEN-AWEZNQCLSA-N
MW279.38 g/mol
LogP1.40
Rot. Bonds3

About (6S)-1-cyclopentyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,4-diazepan-6-ol

(6S)-1-cyclopentyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,4-diazepan-6-ol (PubChem CID 99973824) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is (6S)-1-cyclopentyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,4-diazepan-6-ol.

Molecular Properties

Compound Name(6S)-1-cyclopentyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,4-diazepan-6-ol
PubChem CID99973824
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name(6S)-1-cyclopentyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,4-diazepan-6-ol
SMILESCc1cc(CN2CCN(C3CCCC3)C[C@@H](O)C2)on1
InChIInChI=1S/C15H25N3O2/c1-12-8-15(20-16-12)11-17-6-7-18(10-14(19)9-17)13-4-2-3-5-13/h8,13-14,19H,2-7,9-11H2,1H3/t14-/m0/s1
InChIKeyYYTZJOZEHGVEEN-AWEZNQCLSA-N
XLogP1.40
TPSA52.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6S)-1-cyclopentyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,4-diazepan-6-ol?
The IUPAC name of (6S)-1-cyclopentyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,4-diazepan-6-ol (CID 99973824) is (6S)-1-cyclopentyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,4-diazepan-6-ol.
What is the SMILES notation for (6S)-1-cyclopentyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,4-diazepan-6-ol?
The canonical SMILES for (6S)-1-cyclopentyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,4-diazepan-6-ol is Cc1cc(CN2CCN(C3CCCC3)C[C@@H](O)C2)on1.
What is the InChIKey of (6S)-1-cyclopentyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,4-diazepan-6-ol?
The InChIKey is YYTZJOZEHGVEEN-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-12-8-15(20-16-12)11-17-6-7-18(10-14(19)9-17)13-4-2-3-5-13/h8,13-14,19H,2-7,9-11H2,1H3/t14-/m0/s1.
What are the key properties of (6S)-1-cyclopentyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,4-diazepan-6-ol?
(6S)-1-cyclopentyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,4-diazepan-6-ol has a molecular weight of 279.38 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1-cyclopentyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,4-diazepan-6-ol is sourced from PubChem (CID 99973824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).