(2R)-2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C18H18N4O2S — CID 41103853

IUPAC(2R)-2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)[C@@H](C)Sc2nc(C3CC3)nc3ccccc23)no1
InChIInChI=1S/C18H18N4O2S/c1-10-9-15(22-24-10)20-17(23)11(2)25-18-13-5-3-4-6-14(13)19-16(21-18)12-7-8-12/h3-6,9,11-12H,7-8H2,1-2H3,(H,20,22,23)/t11-/m1/s1
InChIKeyMWGNHDDSTQMRSQ-LLVKDONJSA-N
MW354.44 g/mol
LogP3.92
Rot. Bonds5

About (2R)-2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide

(2R)-2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 41103853) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is (2R)-2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID41103853
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name(2R)-2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)[C@@H](C)Sc2nc(C3CC3)nc3ccccc23)no1
InChIInChI=1S/C18H18N4O2S/c1-10-9-15(22-24-10)20-17(23)11(2)25-18-13-5-3-4-6-14(13)19-16(21-18)12-7-8-12/h3-6,9,11-12H,7-8H2,1-2H3,(H,20,22,23)/t11-/m1/s1
InChIKeyMWGNHDDSTQMRSQ-LLVKDONJSA-N
XLogP3.92
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 78667507
2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(2,4-dimethylphenyl)propanamide
CID 24579334
2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide
CID 24579339
2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(2,4-difluorophenyl)propanamide
CID 24579343
N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide
CID 135677011
N-(5-methyl-1,2-oxazol-3-yl)-2-phenylsulfanylpropanamide
CID 23914590
(2S)-2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(furan-2-ylmethyl)propanamide
CID 41103851
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanamide
CID 8726369
N-(cyclopentylcarbamoyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylpropanamide
CID 24579373
2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(1,1-dioxothiolan-3-yl)propanamide
CID 24579333
(2S)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 41323684
(2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 9385128

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of (2R)-2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 41103853) is (2R)-2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for (2R)-2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for (2R)-2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(NC(=O)[C@@H](C)Sc2nc(C3CC3)nc3ccccc23)no1.
What is the InChIKey of (2R)-2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is MWGNHDDSTQMRSQ-LLVKDONJSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-10-9-15(22-24-10)20-17(23)11(2)25-18-13-5-3-4-6-14(13)19-16(21-18)12-7-8-12/h3-6,9,11-12H,7-8H2,1-2H3,(H,20,22,23)/t11-/m1/s1.
What are the key properties of (2R)-2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
(2R)-2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 354.44 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 41103853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).