(5R)-N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C19H19FN4O3 — CID 94804498

IUPAC(5R)-N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESC[C@@H](NC(=O)[C@H]1CC(c2cccc(F)c2)=NO1)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C19H19FN4O3/c1-11(12-5-7-15(8-6-12)23-19(21)26)22-18(25)17-10-16(24-27-17)13-3-2-4-14(20)9-13/h2-9,11,17H,10H2,1H3,(H,22,25)(H3,21,23,26)/t11-,17-/m1/s1
InChIKeyJADALKIWRRAWDW-PIGZYNQJSA-N
MW370.38 g/mol
LogP2.69
Rot. Bonds5

About (5R)-N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

(5R)-N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 94804498) has the molecular formula C19H19FN4O3 and a molecular weight of 370.38 g/mol. Its IUPAC name is (5R)-N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5R)-N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID94804498
Molecular FormulaC19H19FN4O3
Molecular Weight370.38 g/mol
Exact Mass370.14
IUPAC Name(5R)-N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESC[C@@H](NC(=O)[C@H]1CC(c2cccc(F)c2)=NO1)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C19H19FN4O3/c1-11(12-5-7-15(8-6-12)23-19(21)26)22-18(25)17-10-16(24-27-17)13-3-2-4-14(20)9-13/h2-9,11,17H,10H2,1H3,(H,22,25)(H3,21,23,26)/t11-,17-/m1/s1
InChIKeyJADALKIWRRAWDW-PIGZYNQJSA-N
XLogP2.69
TPSA105.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of (5R)-N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 94804498) is (5R)-N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5R)-N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5R)-N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is C[C@@H](NC(=O)[C@H]1CC(c2cccc(F)c2)=NO1)c1ccc(NC(N)=O)cc1.
What is the InChIKey of (5R)-N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is JADALKIWRRAWDW-PIGZYNQJSA-N. The full InChI is InChI=1S/C19H19FN4O3/c1-11(12-5-7-15(8-6-12)23-19(21)26)22-18(25)17-10-16(24-27-17)13-3-2-4-14(20)9-13/h2-9,11,17H,10H2,1H3,(H,22,25)(H3,21,23,26)/t11-,17-/m1/s1.
What are the key properties of (5R)-N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
(5R)-N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 370.38 g/mol, XLogP of 2.69, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 94804498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).