N-[[(2R)-7-chloro-5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

C24H19ClN4O3 — CID 42239703

IUPACN-[[(2R)-7-chloro-5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)NC[C@H]1Cc2cc(-c3cncnc3)cc(Cl)c2O1
InChIInChI=1S/C24H19ClN4O3/c1-14-21(22(29-32-14)15-5-3-2-4-6-15)24(30)28-12-19-8-17-7-16(9-20(25)23(17)31-19)18-10-26-13-27-11-18/h2-7,9-11,13,19H,8,12H2,1H3,(H,28,30)/t19-/m1/s1
InChIKeyWQXSHWFFIFVZQD-LJQANCHMSA-N
MW446.89 g/mol
LogP4.49
Rot. Bonds5

About N-[[(2R)-7-chloro-5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

N-[[(2R)-7-chloro-5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 42239703) has the molecular formula C24H19ClN4O3 and a molecular weight of 446.89 g/mol. Its IUPAC name is N-[[(2R)-7-chloro-5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-7-chloro-5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID42239703
Molecular FormulaC24H19ClN4O3
Molecular Weight446.89 g/mol
Exact Mass446.11
IUPAC NameN-[[(2R)-7-chloro-5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)NC[C@H]1Cc2cc(-c3cncnc3)cc(Cl)c2O1
InChIInChI=1S/C24H19ClN4O3/c1-14-21(22(29-32-14)15-5-3-2-4-6-15)24(30)28-12-19-8-17-7-16(9-20(25)23(17)31-19)18-10-26-13-27-11-18/h2-7,9-11,13,19H,8,12H2,1H3,(H,28,30)/t19-/m1/s1
InChIKeyWQXSHWFFIFVZQD-LJQANCHMSA-N
XLogP4.49
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.89
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[(2R)-7-chloro-5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[[(2S)-7-chloro-5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methylbenzamide
CID 42190161
N-[[(2S)-7-chloro-5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,2-diphenylacetamide
CID 42318020
N-[(7-chloro-5-thiophen-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 45170812
N-[(7-chloro-5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-5-(4-methoxyphenyl)furan-2-carboxamide
CID 45173766
N-[(5-fluoro-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 45165839
N-[(7-chloro-5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-cyclopentylacetamide
CID 45190040
N-[[(2R)-7-chloro-5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]pent-4-enamide
CID 42468137
3-(3-methylphenyl)-N-[[(2R)-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide
CID 42246342
methyl 3-[(2R)-2-(acetamidomethyl)-7-chloro-2,3-dihydro-1-benzofuran-5-yl]benzoate
CID 26345434
5-methyl-3-phenyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 119512632
N-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 72861448
N-[[3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 45227430

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-7-chloro-5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[[(2R)-7-chloro-5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 42239703) is N-[[(2R)-7-chloro-5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[[(2R)-7-chloro-5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[[(2R)-7-chloro-5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)NC[C@H]1Cc2cc(-c3cncnc3)cc(Cl)c2O1.
What is the InChIKey of N-[[(2R)-7-chloro-5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is WQXSHWFFIFVZQD-LJQANCHMSA-N. The full InChI is InChI=1S/C24H19ClN4O3/c1-14-21(22(29-32-14)15-5-3-2-4-6-15)24(30)28-12-19-8-17-7-16(9-20(25)23(17)31-19)18-10-26-13-27-11-18/h2-7,9-11,13,19H,8,12H2,1H3,(H,28,30)/t19-/m1/s1.
What are the key properties of N-[[(2R)-7-chloro-5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-[[(2R)-7-chloro-5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 446.89 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-7-chloro-5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 42239703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).