(2S)-2-amino-2-cycloheptyl-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluoro-2-pyridinyl]acetamide

C19H25FN4O2 — CID 167525705

IUPAC(2S)-2-amino-2-cycloheptyl-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluoro-2-pyridinyl]acetamide
SMILESCc1noc(C)c1-c1cnc(NC(=O)[C@@H](N)C2CCCCCC2)c(F)c1
InChIInChI=1S/C19H25FN4O2/c1-11-16(12(2)26-24-11)14-9-15(20)18(22-10-14)23-19(25)17(21)13-7-5-3-4-6-8-13/h9-10,13,17H,3-8,21H2,1-2H3,(H,22,23,25)/t17-/m0/s1
InChIKeyCOCUGGAOEDUVKV-KRWDZBQOSA-N
MW360.43 g/mol
LogP3.73
Rot. Bonds4

About (2S)-2-amino-2-cycloheptyl-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluoro-2-pyridinyl]acetamide

(2S)-2-amino-2-cycloheptyl-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluoro-2-pyridinyl]acetamide (PubChem CID 167525705) has the molecular formula C19H25FN4O2 and a molecular weight of 360.43 g/mol. Its IUPAC name is (2S)-2-amino-2-cycloheptyl-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluoro-2-pyridinyl]acetamide.

Molecular Properties

Compound Name(2S)-2-amino-2-cycloheptyl-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluoro-2-pyridinyl]acetamide
PubChem CID167525705
Molecular FormulaC19H25FN4O2
Molecular Weight360.43 g/mol
Exact Mass360.20
IUPAC Name(2S)-2-amino-2-cycloheptyl-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluoro-2-pyridinyl]acetamide
SMILESCc1noc(C)c1-c1cnc(NC(=O)[C@@H](N)C2CCCCCC2)c(F)c1
InChIInChI=1S/C19H25FN4O2/c1-11-16(12(2)26-24-11)14-9-15(20)18(22-10-14)23-19(25)17(21)13-7-5-3-4-6-8-13/h9-10,13,17H,3-8,21H2,1-2H3,(H,22,23,25)/t17-/m0/s1
InChIKeyCOCUGGAOEDUVKV-KRWDZBQOSA-N
XLogP3.73
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-amino-2-cycloheptyl-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluoro-2-pyridinyl]acetamide with MolForge

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Related Compounds

N-(4-(3-(4-fluorophenyl)-5-isopropylisoxazol-4-yl)pyridin-2-yl)acetamide
CID 24901423
N-sec-butyl-4-(3-(4-fluorophenyl)-5-isopropylisoxazol-4-yl)pyridin-2-amine
CID 44597013
4-(3-(4-fluorophenyl)-5-isopropylisoxazol-4-yl)-N-(tetrahydro-2H-pyran-4-yl)pyridin-2-amine
CID 44597108
(R)-4-(3-(4-fluorophenyl)-5-isopropylisoxazol-4-yl)-N-(1-phenylethyl)pyridin-2-amine
CID 44597109
(S)-4-(3-(4-fluorophenyl)-5-isopropylisoxazol-4-yl)-N-(1-phenylethyl)pyridin-2-amine
CID 44597110
2-(4-fluorophenyl)-N-(4-(3-(4-fluorophenyl)-5-isopropylisoxazol-4-yl)pyridin-2-yl)acetamide
CID 44597113
5-propan-2-yl-N-pyridin-2-yl-1,2-oxazole-3-carboxamide
CID 137647050
N-[6-(acetylamino)-3-pyridinyl]-5-methyl-3-phenyl-4-isoxazolecarboxamide
CID 2813211
5-methyl-N-(5-methyl-2-pyridinyl)-3-phenyl-4-isoxazolecarboxamide
CID 868950
N-Cyclopropyl-6-{[3-(4-fluoro-phenyl)-5-methyl-isoxazol-4-ylmethyl]-amino}-nicotinamide
CID 42629450
6-{[3-(4-Fluoro-phenyl)-5-methyl-isoxazol-4-ylmethyl]-amino}-N-(tetrahydro-pyran-4-yl)-nicotinamide
CID 42629451
N-Cyclopropylmethyl-6-{[3-(4-fluoro-phenyl)-5-methyl-isoxazol-4-ylmethyl]-amino}-nicotinamide
CID 57520270

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-cycloheptyl-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluoro-2-pyridinyl]acetamide?
The IUPAC name of (2S)-2-amino-2-cycloheptyl-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluoro-2-pyridinyl]acetamide (CID 167525705) is (2S)-2-amino-2-cycloheptyl-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluoro-2-pyridinyl]acetamide.
What is the SMILES notation for (2S)-2-amino-2-cycloheptyl-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluoro-2-pyridinyl]acetamide?
The canonical SMILES for (2S)-2-amino-2-cycloheptyl-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluoro-2-pyridinyl]acetamide is Cc1noc(C)c1-c1cnc(NC(=O)[C@@H](N)C2CCCCCC2)c(F)c1.
What is the InChIKey of (2S)-2-amino-2-cycloheptyl-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluoro-2-pyridinyl]acetamide?
The InChIKey is COCUGGAOEDUVKV-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H25FN4O2/c1-11-16(12(2)26-24-11)14-9-15(20)18(22-10-14)23-19(25)17(21)13-7-5-3-4-6-8-13/h9-10,13,17H,3-8,21H2,1-2H3,(H,22,23,25)/t17-/m0/s1.
What are the key properties of (2S)-2-amino-2-cycloheptyl-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluoro-2-pyridinyl]acetamide?
(2S)-2-amino-2-cycloheptyl-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluoro-2-pyridinyl]acetamide has a molecular weight of 360.43 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-cycloheptyl-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluoro-2-pyridinyl]acetamide is sourced from PubChem (CID 167525705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).