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

C19H26N4O2 — CID 167525595

IUPAC(2S)-2-amino-2-cycloheptyl-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]acetamide
SMILESCc1noc(C)c1-c1ccc(NC(=O)[C@@H](N)C2CCCCCC2)nc1
InChIInChI=1S/C19H26N4O2/c1-12-17(13(2)25-23-12)15-9-10-16(21-11-15)22-19(24)18(20)14-7-5-3-4-6-8-14/h9-11,14,18H,3-8,20H2,1-2H3,(H,21,22,24)/t18-/m0/s1
InChIKeyGDVLYQRBUSJMNB-SFHVURJKSA-N
MW342.44 g/mol
LogP3.59
Rot. Bonds4

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

(2S)-2-amino-2-cycloheptyl-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]acetamide (PubChem CID 167525595) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (2S)-2-amino-2-cycloheptyl-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name(2S)-2-amino-2-cycloheptyl-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]acetamide
PubChem CID167525595
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name(2S)-2-amino-2-cycloheptyl-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]acetamide
SMILESCc1noc(C)c1-c1ccc(NC(=O)[C@@H](N)C2CCCCCC2)nc1
InChIInChI=1S/C19H26N4O2/c1-12-17(13(2)25-23-12)15-9-10-16(21-11-15)22-19(24)18(20)14-7-5-3-4-6-8-14/h9-11,14,18H,3-8,20H2,1-2H3,(H,21,22,24)/t18-/m0/s1
InChIKeyGDVLYQRBUSJMNB-SFHVURJKSA-N
XLogP3.59
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-cycloheptyl-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]acetamide?
The IUPAC name of (2S)-2-amino-2-cycloheptyl-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]acetamide (CID 167525595) is (2S)-2-amino-2-cycloheptyl-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]acetamide.
What is the SMILES notation for (2S)-2-amino-2-cycloheptyl-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]acetamide?
The canonical SMILES for (2S)-2-amino-2-cycloheptyl-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]acetamide is Cc1noc(C)c1-c1ccc(NC(=O)[C@@H](N)C2CCCCCC2)nc1.
What is the InChIKey of (2S)-2-amino-2-cycloheptyl-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]acetamide?
The InChIKey is GDVLYQRBUSJMNB-SFHVURJKSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-12-17(13(2)25-23-12)15-9-10-16(21-11-15)22-19(24)18(20)14-7-5-3-4-6-8-14/h9-11,14,18H,3-8,20H2,1-2H3,(H,21,22,24)/t18-/m0/s1.
What are the key properties of (2S)-2-amino-2-cycloheptyl-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]acetamide?
(2S)-2-amino-2-cycloheptyl-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]acetamide has a molecular weight of 342.44 g/mol, XLogP of 3.59, 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)-2-pyridinyl]acetamide is sourced from PubChem (CID 167525595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).