N-[(3R,5S)-5-(fluoromethyl)pyrrolidin-3-yl]-1,3-oxazole-2-carboxamide

C9H12FN3O2 — CID 175940447

IUPACN-[(3R,5S)-5-(fluoromethyl)pyrrolidin-3-yl]-1,3-oxazole-2-carboxamide
SMILESO=C(N[C@H]1CN[C@H](CF)C1)c1ncco1
InChIInChI=1S/C9H12FN3O2/c10-4-6-3-7(5-12-6)13-8(14)9-11-1-2-15-9/h1-2,6-7,12H,3-5H2,(H,13,14)/t6-,7+/m0/s1
InChIKeyVWBHXKRDGMMTRH-NKWVEPMBSA-N
MW213.21 g/mol
LogP0.10
Rot. Bonds3

About N-[(3R,5S)-5-(fluoromethyl)pyrrolidin-3-yl]-1,3-oxazole-2-carboxamide

N-[(3R,5S)-5-(fluoromethyl)pyrrolidin-3-yl]-1,3-oxazole-2-carboxamide (PubChem CID 175940447) has the molecular formula C9H12FN3O2 and a molecular weight of 213.21 g/mol. Its IUPAC name is N-[(3R,5S)-5-(fluoromethyl)pyrrolidin-3-yl]-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound NameN-[(3R,5S)-5-(fluoromethyl)pyrrolidin-3-yl]-1,3-oxazole-2-carboxamide
PubChem CID175940447
Molecular FormulaC9H12FN3O2
Molecular Weight213.21 g/mol
Exact Mass213.09
IUPAC NameN-[(3R,5S)-5-(fluoromethyl)pyrrolidin-3-yl]-1,3-oxazole-2-carboxamide
SMILESO=C(N[C@H]1CN[C@H](CF)C1)c1ncco1
InChIInChI=1S/C9H12FN3O2/c10-4-6-3-7(5-12-6)13-8(14)9-11-1-2-15-9/h1-2,6-7,12H,3-5H2,(H,13,14)/t6-,7+/m0/s1
InChIKeyVWBHXKRDGMMTRH-NKWVEPMBSA-N
XLogP0.10
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,5S)-5-(fluoromethyl)pyrrolidin-3-yl]-1,3-oxazole-2-carboxamide?
The IUPAC name of N-[(3R,5S)-5-(fluoromethyl)pyrrolidin-3-yl]-1,3-oxazole-2-carboxamide (CID 175940447) is N-[(3R,5S)-5-(fluoromethyl)pyrrolidin-3-yl]-1,3-oxazole-2-carboxamide.
What is the SMILES notation for N-[(3R,5S)-5-(fluoromethyl)pyrrolidin-3-yl]-1,3-oxazole-2-carboxamide?
The canonical SMILES for N-[(3R,5S)-5-(fluoromethyl)pyrrolidin-3-yl]-1,3-oxazole-2-carboxamide is O=C(N[C@H]1CN[C@H](CF)C1)c1ncco1.
What is the InChIKey of N-[(3R,5S)-5-(fluoromethyl)pyrrolidin-3-yl]-1,3-oxazole-2-carboxamide?
The InChIKey is VWBHXKRDGMMTRH-NKWVEPMBSA-N. The full InChI is InChI=1S/C9H12FN3O2/c10-4-6-3-7(5-12-6)13-8(14)9-11-1-2-15-9/h1-2,6-7,12H,3-5H2,(H,13,14)/t6-,7+/m0/s1.
What are the key properties of N-[(3R,5S)-5-(fluoromethyl)pyrrolidin-3-yl]-1,3-oxazole-2-carboxamide?
N-[(3R,5S)-5-(fluoromethyl)pyrrolidin-3-yl]-1,3-oxazole-2-carboxamide has a molecular weight of 213.21 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,5S)-5-(fluoromethyl)pyrrolidin-3-yl]-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 175940447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).