(2R)-N-[2-(4-chlorophenyl)pyrimidin-5-yl]oxolane-2-carboxamide

C15H14ClN3O2 — CID 95100497

IUPAC(2R)-N-[2-(4-chlorophenyl)pyrimidin-5-yl]oxolane-2-carboxamide
SMILESO=C(Nc1cnc(-c2ccc(Cl)cc2)nc1)[C@H]1CCCO1
InChIInChI=1S/C15H14ClN3O2/c16-11-5-3-10(4-6-11)14-17-8-12(9-18-14)19-15(20)13-2-1-7-21-13/h3-6,8-9,13H,1-2,7H2,(H,19,20)/t13-/m1/s1
InChIKeyIDTACGGRSKNIAS-CYBMUJFWSA-N
MW303.75 g/mol
LogP2.91
Rot. Bonds3

About (2R)-N-[2-(4-chlorophenyl)pyrimidin-5-yl]oxolane-2-carboxamide

(2R)-N-[2-(4-chlorophenyl)pyrimidin-5-yl]oxolane-2-carboxamide (PubChem CID 95100497) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is (2R)-N-[2-(4-chlorophenyl)pyrimidin-5-yl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-(4-chlorophenyl)pyrimidin-5-yl]oxolane-2-carboxamide
PubChem CID95100497
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC Name(2R)-N-[2-(4-chlorophenyl)pyrimidin-5-yl]oxolane-2-carboxamide
SMILESO=C(Nc1cnc(-c2ccc(Cl)cc2)nc1)[C@H]1CCCO1
InChIInChI=1S/C15H14ClN3O2/c16-11-5-3-10(4-6-11)14-17-8-12(9-18-14)19-15(20)13-2-1-7-21-13/h3-6,8-9,13H,1-2,7H2,(H,19,20)/t13-/m1/s1
InChIKeyIDTACGGRSKNIAS-CYBMUJFWSA-N
XLogP2.91
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(2S)-oxolane-2-carbonyl]amino]pyridine-2-carboxylic acid
CID 104855894
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]oxolane-2-carboxamide
CID 71993905
(2R)-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]oxolane-2-carboxamide
CID 35593011
(2R)-N-(2-chloro-4-pyridinyl)oxolane-2-carboxamide
CID 129370669
(2S)-N-(6-methoxy-3-pyridinyl)oxolane-2-carboxamide
CID 34666491
N-phenyloxolane-2-carboxamide
CID 3453643
N-[6-(ethylamino)-3-pyridinyl]oxolane-2-carboxamide
CID 115268574
5-methyl-N-[4-[[(2S)-oxolane-2-carbonyl]amino]phenyl]pyrazine-2-carboxamide
CID 37396639
(2S)-N-[4-(1,3-oxazol-5-yl)phenyl]oxolane-2-carboxamide
CID 99699200
(2S)-N-[5-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 96510032
(2R)-N-(2,5-dichlorophenyl)oxolane-2-carboxamide
CID 1086830
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(4-chlorophenyl)pyrimidin-5-yl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[2-(4-chlorophenyl)pyrimidin-5-yl]oxolane-2-carboxamide (CID 95100497) is (2R)-N-[2-(4-chlorophenyl)pyrimidin-5-yl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[2-(4-chlorophenyl)pyrimidin-5-yl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[2-(4-chlorophenyl)pyrimidin-5-yl]oxolane-2-carboxamide is O=C(Nc1cnc(-c2ccc(Cl)cc2)nc1)[C@H]1CCCO1.
What is the InChIKey of (2R)-N-[2-(4-chlorophenyl)pyrimidin-5-yl]oxolane-2-carboxamide?
The InChIKey is IDTACGGRSKNIAS-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c16-11-5-3-10(4-6-11)14-17-8-12(9-18-14)19-15(20)13-2-1-7-21-13/h3-6,8-9,13H,1-2,7H2,(H,19,20)/t13-/m1/s1.
What are the key properties of (2R)-N-[2-(4-chlorophenyl)pyrimidin-5-yl]oxolane-2-carboxamide?
(2R)-N-[2-(4-chlorophenyl)pyrimidin-5-yl]oxolane-2-carboxamide has a molecular weight of 303.75 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(4-chlorophenyl)pyrimidin-5-yl]oxolane-2-carboxamide is sourced from PubChem (CID 95100497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).