(5-cyclopropyl-1,2-oxazol-3-yl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone

C18H23N3O2 — CID 24685159

IUPAC(5-cyclopropyl-1,2-oxazol-3-yl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone
SMILESCn1cccc1C1CCCCCN1C(=O)c1cc(C2CC2)on1
InChIInChI=1S/C18H23N3O2/c1-20-10-5-7-15(20)16-6-3-2-4-11-21(16)18(22)14-12-17(23-19-14)13-8-9-13/h5,7,10,12-13,16H,2-4,6,8-9,11H2,1H3
InChIKeySXXWMUQDKKLIAT-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.65
Rot. Bonds3

About (5-cyclopropyl-1,2-oxazol-3-yl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone

(5-cyclopropyl-1,2-oxazol-3-yl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone (PubChem CID 24685159) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is (5-cyclopropyl-1,2-oxazol-3-yl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1,2-oxazol-3-yl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone
PubChem CID24685159
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name(5-cyclopropyl-1,2-oxazol-3-yl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone
SMILESCn1cccc1C1CCCCCN1C(=O)c1cc(C2CC2)on1
InChIInChI=1S/C18H23N3O2/c1-20-10-5-7-15(20)16-6-3-2-4-11-21(16)18(22)14-12-17(23-19-14)13-8-9-13/h5,7,10,12-13,16H,2-4,6,8-9,11H2,1H3
InChIKeySXXWMUQDKKLIAT-UHFFFAOYSA-N
XLogP3.65
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopropyl-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone
CID 94819352
(5-cyclopropyl-1,2-oxazol-3-yl)-(2-methylpiperidin-1-yl)methanone
CID 22427517
[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone
CID 51612979
(5-cyclopropyl-1,2-oxazol-3-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 34229533
(3-hydroxy-2-pyridinyl)-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone
CID 99697978
[2-(1-methylpyrrol-2-yl)azepan-1-yl]-(2-methylsulfanylphenyl)methanone
CID 112810410
(5-cyclopropyl-1,2-oxazol-3-yl)-[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 92731895
(5-cyclopropyl-1,2-oxazol-3-yl)-[(2R)-2-(1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 124860819
(5-chloro-2-fluorophenyl)-[(2R)-2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone
CID 51726529
2-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-2-yl]acetic acid
CID 61011206
(5-cyclopropyl-1,2-oxazol-3-yl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 94866933
(5-cyclopropyl-1,2-oxazol-3-yl)-[2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone
CID 175652507

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone?
The IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone (CID 24685159) is (5-cyclopropyl-1,2-oxazol-3-yl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone.
What is the SMILES notation for (5-cyclopropyl-1,2-oxazol-3-yl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone?
The canonical SMILES for (5-cyclopropyl-1,2-oxazol-3-yl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone is Cn1cccc1C1CCCCCN1C(=O)c1cc(C2CC2)on1.
What is the InChIKey of (5-cyclopropyl-1,2-oxazol-3-yl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone?
The InChIKey is SXXWMUQDKKLIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-20-10-5-7-15(20)16-6-3-2-4-11-21(16)18(22)14-12-17(23-19-14)13-8-9-13/h5,7,10,12-13,16H,2-4,6,8-9,11H2,1H3.
What are the key properties of (5-cyclopropyl-1,2-oxazol-3-yl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone?
(5-cyclopropyl-1,2-oxazol-3-yl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone has a molecular weight of 313.40 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1,2-oxazol-3-yl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone is sourced from PubChem (CID 24685159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).