N-cyclopropyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-fluoropyrrolidine-3-carboxamide

C14H20FN3O2 — CID 171334012

IUPACN-cyclopropyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-fluoropyrrolidine-3-carboxamide
SMILESCc1noc(C)c1CN1CCC(F)(C(=O)NC2CC2)C1
InChIInChI=1S/C14H20FN3O2/c1-9-12(10(2)20-17-9)7-18-6-5-14(15,8-18)13(19)16-11-3-4-11/h11H,3-8H2,1-2H3,(H,16,19)
InChIKeyVXWVYTSRBCGMKM-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.48
Rot. Bonds4

About N-cyclopropyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-fluoropyrrolidine-3-carboxamide

N-cyclopropyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-fluoropyrrolidine-3-carboxamide (PubChem CID 171334012) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is N-cyclopropyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-fluoropyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-fluoropyrrolidine-3-carboxamide
PubChem CID171334012
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC NameN-cyclopropyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-fluoropyrrolidine-3-carboxamide
SMILESCc1noc(C)c1CN1CCC(F)(C(=O)NC2CC2)C1
InChIInChI=1S/C14H20FN3O2/c1-9-12(10(2)20-17-9)7-18-6-5-14(15,8-18)13(19)16-11-3-4-11/h11H,3-8H2,1-2H3,(H,16,19)
InChIKeyVXWVYTSRBCGMKM-UHFFFAOYSA-N
XLogP1.48
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-3-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide
CID 171334002
N-cyclopropyl-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 118744023
(3aR,7aR)-N-cyclopropyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide;2,2,2-trifluoroacetic acid
CID 155868833
N-cyclopropyl-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane-2-carboxamide;2,2,2-trifluoroacetic acid
CID 118744022
cyclopropyl-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-10,10-difluoro-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 155876069
(2R)-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2-methylbutanamide
CID 98042032
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2-methylbutanamide
CID 75527495
1-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea
CID 47850579
(2S)-N-cyclopropyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 94038570
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2-phenylacetamide
CID 75461556
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]pyridine-4-carboxamide
CID 75527487
(2R,3aS,7aS)-N-cyclopropyl-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97366523

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-fluoropyrrolidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-fluoropyrrolidine-3-carboxamide (CID 171334012) is N-cyclopropyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-fluoropyrrolidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-fluoropyrrolidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-fluoropyrrolidine-3-carboxamide is Cc1noc(C)c1CN1CCC(F)(C(=O)NC2CC2)C1.
What is the InChIKey of N-cyclopropyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-fluoropyrrolidine-3-carboxamide?
The InChIKey is VXWVYTSRBCGMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-9-12(10(2)20-17-9)7-18-6-5-14(15,8-18)13(19)16-11-3-4-11/h11H,3-8H2,1-2H3,(H,16,19).
What are the key properties of N-cyclopropyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-fluoropyrrolidine-3-carboxamide?
N-cyclopropyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-fluoropyrrolidine-3-carboxamide has a molecular weight of 281.33 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-fluoropyrrolidine-3-carboxamide is sourced from PubChem (CID 171334012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).