N-[5-[(1R,3S)-3-fluorocyclopentyl]-1H-pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide

C14H17FN4O2 — CID 174055772

IUPACN-[5-[(1R,3S)-3-fluorocyclopentyl]-1H-pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(CC(=O)Nc2cc([C@@H]3CC[C@H](F)C3)[nH]n2)on1
InChIInChI=1S/C14H17FN4O2/c1-8-4-11(21-19-8)6-14(20)16-13-7-12(17-18-13)9-2-3-10(15)5-9/h4,7,9-10H,2-3,5-6H2,1H3,(H2,16,17,18,20)/t9-,10+/m1/s1
InChIKeyNTMLZFLSXAJNAX-ZJUUUORDSA-N
MW292.31 g/mol
LogP2.49
Rot. Bonds4

About N-[5-[(1R,3S)-3-fluorocyclopentyl]-1H-pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide

N-[5-[(1R,3S)-3-fluorocyclopentyl]-1H-pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide (PubChem CID 174055772) has the molecular formula C14H17FN4O2 and a molecular weight of 292.31 g/mol. Its IUPAC name is N-[5-[(1R,3S)-3-fluorocyclopentyl]-1H-pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[5-[(1R,3S)-3-fluorocyclopentyl]-1H-pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
PubChem CID174055772
Molecular FormulaC14H17FN4O2
Molecular Weight292.31 g/mol
Exact Mass292.13
IUPAC NameN-[5-[(1R,3S)-3-fluorocyclopentyl]-1H-pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(CC(=O)Nc2cc([C@@H]3CC[C@H](F)C3)[nH]n2)on1
InChIInChI=1S/C14H17FN4O2/c1-8-4-11(21-19-8)6-14(20)16-13-7-12(17-18-13)9-2-3-10(15)5-9/h4,7,9-10H,2-3,5-6H2,1H3,(H2,16,17,18,20)/t9-,10+/m1/s1
InChIKeyNTMLZFLSXAJNAX-ZJUUUORDSA-N
XLogP2.49
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(1R,3S)-3-fluorocyclopentyl]-1H-pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of N-[5-[(1R,3S)-3-fluorocyclopentyl]-1H-pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide (CID 174055772) is N-[5-[(1R,3S)-3-fluorocyclopentyl]-1H-pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for N-[5-[(1R,3S)-3-fluorocyclopentyl]-1H-pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for N-[5-[(1R,3S)-3-fluorocyclopentyl]-1H-pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide is Cc1cc(CC(=O)Nc2cc([C@@H]3CC[C@H](F)C3)[nH]n2)on1.
What is the InChIKey of N-[5-[(1R,3S)-3-fluorocyclopentyl]-1H-pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide?
The InChIKey is NTMLZFLSXAJNAX-ZJUUUORDSA-N. The full InChI is InChI=1S/C14H17FN4O2/c1-8-4-11(21-19-8)6-14(20)16-13-7-12(17-18-13)9-2-3-10(15)5-9/h4,7,9-10H,2-3,5-6H2,1H3,(H2,16,17,18,20)/t9-,10+/m1/s1.
What are the key properties of N-[5-[(1R,3S)-3-fluorocyclopentyl]-1H-pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide?
N-[5-[(1R,3S)-3-fluorocyclopentyl]-1H-pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide has a molecular weight of 292.31 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(1R,3S)-3-fluorocyclopentyl]-1H-pyrazol-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 174055772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).