2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1H-pyrazol-5-yl)-6-methyl-N-(1,2-oxazol-3-yl)-1,4-dihydropyrimidine-5-carboxamide

C19H15ClN8O3 — CID 89473383

IUPAC2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1H-pyrazol-5-yl)-6-methyl-N-(1,2-oxazol-3-yl)-1,4-dihydropyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccon2)C(c2[nH]ncc2Cl)N=C(Nc2nc3ccccc3o2)N1
InChIInChI=1S/C19H15ClN8O3/c1-9-14(17(29)24-13-6-7-30-28-13)16(15-10(20)8-21-27-15)25-18(22-9)26-19-23-11-4-2-3-5-12(11)31-19/h2-8,16H,1H3,(H,21,27)(H,24,28,29)(H2,22,23,25,26)
InChIKeyHKZWVQYBXQYKBS-UHFFFAOYSA-N
MW438.84 g/mol
LogP3.22
Rot. Bonds4

About 2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1H-pyrazol-5-yl)-6-methyl-N-(1,2-oxazol-3-yl)-1,4-dihydropyrimidine-5-carboxamide

2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1H-pyrazol-5-yl)-6-methyl-N-(1,2-oxazol-3-yl)-1,4-dihydropyrimidine-5-carboxamide (PubChem CID 89473383) has the molecular formula C19H15ClN8O3 and a molecular weight of 438.84 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1H-pyrazol-5-yl)-6-methyl-N-(1,2-oxazol-3-yl)-1,4-dihydropyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1H-pyrazol-5-yl)-6-methyl-N-(1,2-oxazol-3-yl)-1,4-dihydropyrimidine-5-carboxamide
PubChem CID89473383
Molecular FormulaC19H15ClN8O3
Molecular Weight438.84 g/mol
Exact Mass438.10
IUPAC Name2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1H-pyrazol-5-yl)-6-methyl-N-(1,2-oxazol-3-yl)-1,4-dihydropyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccon2)C(c2[nH]ncc2Cl)N=C(Nc2nc3ccccc3o2)N1
InChIInChI=1S/C19H15ClN8O3/c1-9-14(17(29)24-13-6-7-30-28-13)16(15-10(20)8-21-27-15)25-18(22-9)26-19-23-11-4-2-3-5-12(11)31-19/h2-8,16H,1H3,(H,21,27)(H,24,28,29)(H2,22,23,25,26)
InChIKeyHKZWVQYBXQYKBS-UHFFFAOYSA-N
XLogP3.22
TPSA146.26 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.84
LogP ≤ 53.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1H-pyrazol-5-yl)-6-methyl-N-(1,2-oxazol-3-yl)-1,4-dihydropyrimidine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1H-pyrazol-5-yl)-6-methyl-N-(1,2-oxazol-3-yl)-1,4-dihydropyrimidine-5-carboxamide?
The IUPAC name of 2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1H-pyrazol-5-yl)-6-methyl-N-(1,2-oxazol-3-yl)-1,4-dihydropyrimidine-5-carboxamide (CID 89473383) is 2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1H-pyrazol-5-yl)-6-methyl-N-(1,2-oxazol-3-yl)-1,4-dihydropyrimidine-5-carboxamide.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1H-pyrazol-5-yl)-6-methyl-N-(1,2-oxazol-3-yl)-1,4-dihydropyrimidine-5-carboxamide?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1H-pyrazol-5-yl)-6-methyl-N-(1,2-oxazol-3-yl)-1,4-dihydropyrimidine-5-carboxamide is CC1=C(C(=O)Nc2ccon2)C(c2[nH]ncc2Cl)N=C(Nc2nc3ccccc3o2)N1.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1H-pyrazol-5-yl)-6-methyl-N-(1,2-oxazol-3-yl)-1,4-dihydropyrimidine-5-carboxamide?
The InChIKey is HKZWVQYBXQYKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN8O3/c1-9-14(17(29)24-13-6-7-30-28-13)16(15-10(20)8-21-27-15)25-18(22-9)26-19-23-11-4-2-3-5-12(11)31-19/h2-8,16H,1H3,(H,21,27)(H,24,28,29)(H2,22,23,25,26).
What are the key properties of 2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1H-pyrazol-5-yl)-6-methyl-N-(1,2-oxazol-3-yl)-1,4-dihydropyrimidine-5-carboxamide?
2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1H-pyrazol-5-yl)-6-methyl-N-(1,2-oxazol-3-yl)-1,4-dihydropyrimidine-5-carboxamide has a molecular weight of 438.84 g/mol, XLogP of 3.22, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1H-pyrazol-5-yl)-6-methyl-N-(1,2-oxazol-3-yl)-1,4-dihydropyrimidine-5-carboxamide is sourced from PubChem (CID 89473383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).