4-[[2-(2,6-difluorophenyl)-1,3-oxazol-5-yl]amino]-N-[(3R)-pyrrolidin-3-yl]benzamide

C20H18F2N4O2 — CID 141370485

IUPAC4-[[2-(2,6-difluorophenyl)-1,3-oxazol-5-yl]amino]-N-[(3R)-pyrrolidin-3-yl]benzamide
SMILESO=C(N[C@@H]1CCNC1)c1ccc(Nc2cnc(-c3c(F)cccc3F)o2)cc1
InChIInChI=1S/C20H18F2N4O2/c21-15-2-1-3-16(22)18(15)20-24-11-17(28-20)25-13-6-4-12(5-7-13)19(27)26-14-8-9-23-10-14/h1-7,11,14,23,25H,8-10H2,(H,26,27)/t14-/m1/s1
InChIKeyCCMAORPWCCLXMV-CQSZACIVSA-N
MW384.39 g/mol
LogP3.46
Rot. Bonds5

About 4-[[2-(2,6-difluorophenyl)-1,3-oxazol-5-yl]amino]-N-[(3R)-pyrrolidin-3-yl]benzamide

4-[[2-(2,6-difluorophenyl)-1,3-oxazol-5-yl]amino]-N-[(3R)-pyrrolidin-3-yl]benzamide (PubChem CID 141370485) has the molecular formula C20H18F2N4O2 and a molecular weight of 384.39 g/mol. Its IUPAC name is 4-[[2-(2,6-difluorophenyl)-1,3-oxazol-5-yl]amino]-N-[(3R)-pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name4-[[2-(2,6-difluorophenyl)-1,3-oxazol-5-yl]amino]-N-[(3R)-pyrrolidin-3-yl]benzamide
PubChem CID141370485
Molecular FormulaC20H18F2N4O2
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC Name4-[[2-(2,6-difluorophenyl)-1,3-oxazol-5-yl]amino]-N-[(3R)-pyrrolidin-3-yl]benzamide
SMILESO=C(N[C@@H]1CCNC1)c1ccc(Nc2cnc(-c3c(F)cccc3F)o2)cc1
InChIInChI=1S/C20H18F2N4O2/c21-15-2-1-3-16(22)18(15)20-24-11-17(28-20)25-13-6-4-12(5-7-13)19(27)26-14-8-9-23-10-14/h1-7,11,14,23,25H,8-10H2,(H,26,27)/t14-/m1/s1
InChIKeyCCMAORPWCCLXMV-CQSZACIVSA-N
XLogP3.46
TPSA79.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,6-difluorophenyl)-1,3-oxazol-5-yl]amino]-N-[(3R)-pyrrolidin-3-yl]benzamide?
The IUPAC name of 4-[[2-(2,6-difluorophenyl)-1,3-oxazol-5-yl]amino]-N-[(3R)-pyrrolidin-3-yl]benzamide (CID 141370485) is 4-[[2-(2,6-difluorophenyl)-1,3-oxazol-5-yl]amino]-N-[(3R)-pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 4-[[2-(2,6-difluorophenyl)-1,3-oxazol-5-yl]amino]-N-[(3R)-pyrrolidin-3-yl]benzamide?
The canonical SMILES for 4-[[2-(2,6-difluorophenyl)-1,3-oxazol-5-yl]amino]-N-[(3R)-pyrrolidin-3-yl]benzamide is O=C(N[C@@H]1CCNC1)c1ccc(Nc2cnc(-c3c(F)cccc3F)o2)cc1.
What is the InChIKey of 4-[[2-(2,6-difluorophenyl)-1,3-oxazol-5-yl]amino]-N-[(3R)-pyrrolidin-3-yl]benzamide?
The InChIKey is CCMAORPWCCLXMV-CQSZACIVSA-N. The full InChI is InChI=1S/C20H18F2N4O2/c21-15-2-1-3-16(22)18(15)20-24-11-17(28-20)25-13-6-4-12(5-7-13)19(27)26-14-8-9-23-10-14/h1-7,11,14,23,25H,8-10H2,(H,26,27)/t14-/m1/s1.
What are the key properties of 4-[[2-(2,6-difluorophenyl)-1,3-oxazol-5-yl]amino]-N-[(3R)-pyrrolidin-3-yl]benzamide?
4-[[2-(2,6-difluorophenyl)-1,3-oxazol-5-yl]amino]-N-[(3R)-pyrrolidin-3-yl]benzamide has a molecular weight of 384.39 g/mol, XLogP of 3.46, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,6-difluorophenyl)-1,3-oxazol-5-yl]amino]-N-[(3R)-pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 141370485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).