(3S)-N-[5-(2-chlorophenyl)-2-methyl-1,2,4-triazol-3-yl]oxolane-3-carboxamide

C14H15ClN4O2 — CID 136588190

IUPAC(3S)-N-[5-(2-chlorophenyl)-2-methyl-1,2,4-triazol-3-yl]oxolane-3-carboxamide
SMILESCn1nc(-c2ccccc2Cl)nc1NC(=O)[C@H]1CCOC1
InChIInChI=1S/C14H15ClN4O2/c1-19-14(17-13(20)9-6-7-21-8-9)16-12(18-19)10-4-2-3-5-11(10)15/h2-5,9H,6-8H2,1H3,(H,16,17,18,20)/t9-/m0/s1
InChIKeyRPCAUFAZZNIKGR-VIFPVBQESA-N
MW306.75 g/mol
LogP2.11
Rot. Bonds3

About (3S)-N-[5-(2-chlorophenyl)-2-methyl-1,2,4-triazol-3-yl]oxolane-3-carboxamide

(3S)-N-[5-(2-chlorophenyl)-2-methyl-1,2,4-triazol-3-yl]oxolane-3-carboxamide (PubChem CID 136588190) has the molecular formula C14H15ClN4O2 and a molecular weight of 306.75 g/mol. Its IUPAC name is (3S)-N-[5-(2-chlorophenyl)-2-methyl-1,2,4-triazol-3-yl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[5-(2-chlorophenyl)-2-methyl-1,2,4-triazol-3-yl]oxolane-3-carboxamide
PubChem CID136588190
Molecular FormulaC14H15ClN4O2
Molecular Weight306.75 g/mol
Exact Mass306.09
IUPAC Name(3S)-N-[5-(2-chlorophenyl)-2-methyl-1,2,4-triazol-3-yl]oxolane-3-carboxamide
SMILESCn1nc(-c2ccccc2Cl)nc1NC(=O)[C@H]1CCOC1
InChIInChI=1S/C14H15ClN4O2/c1-19-14(17-13(20)9-6-7-21-8-9)16-12(18-19)10-4-2-3-5-11(10)15/h2-5,9H,6-8H2,1H3,(H,16,17,18,20)/t9-/m0/s1
InChIKeyRPCAUFAZZNIKGR-VIFPVBQESA-N
XLogP2.11
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[5-(2-chlorophenyl)-2-methyl-1,2,4-triazol-3-yl]oxolane-3-carboxamide?
The IUPAC name of (3S)-N-[5-(2-chlorophenyl)-2-methyl-1,2,4-triazol-3-yl]oxolane-3-carboxamide (CID 136588190) is (3S)-N-[5-(2-chlorophenyl)-2-methyl-1,2,4-triazol-3-yl]oxolane-3-carboxamide.
What is the SMILES notation for (3S)-N-[5-(2-chlorophenyl)-2-methyl-1,2,4-triazol-3-yl]oxolane-3-carboxamide?
The canonical SMILES for (3S)-N-[5-(2-chlorophenyl)-2-methyl-1,2,4-triazol-3-yl]oxolane-3-carboxamide is Cn1nc(-c2ccccc2Cl)nc1NC(=O)[C@H]1CCOC1.
What is the InChIKey of (3S)-N-[5-(2-chlorophenyl)-2-methyl-1,2,4-triazol-3-yl]oxolane-3-carboxamide?
The InChIKey is RPCAUFAZZNIKGR-VIFPVBQESA-N. The full InChI is InChI=1S/C14H15ClN4O2/c1-19-14(17-13(20)9-6-7-21-8-9)16-12(18-19)10-4-2-3-5-11(10)15/h2-5,9H,6-8H2,1H3,(H,16,17,18,20)/t9-/m0/s1.
What are the key properties of (3S)-N-[5-(2-chlorophenyl)-2-methyl-1,2,4-triazol-3-yl]oxolane-3-carboxamide?
(3S)-N-[5-(2-chlorophenyl)-2-methyl-1,2,4-triazol-3-yl]oxolane-3-carboxamide has a molecular weight of 306.75 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[5-(2-chlorophenyl)-2-methyl-1,2,4-triazol-3-yl]oxolane-3-carboxamide is sourced from PubChem (CID 136588190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).