carbonic acid;3-[6-[[5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-1,2-oxazol-4-yl]amino]-2-pyridinyl]benzamide

C32H28N4O5 — CID 122636324

IUPACcarbonic acid;3-[6-[[5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-1,2-oxazol-4-yl]amino]-2-pyridinyl]benzamide
SMILESCc1noc(-c2ccc(-c3ccc(C4CC4)cc3)cc2)c1Nc1cccc(-c2cccc(C(N)=O)c2)n1.O=C(O)O
InChIInChI=1S/C31H26N4O2.CH2O3/c1-19-29(34-28-7-3-6-27(33-28)25-4-2-5-26(18-25)31(32)36)30(37-35-19)24-16-14-23(15-17-24)22-12-10-21(11-13-22)20-8-9-20;2-1(3)4/h2-7,10-18,20H,8-9H2,1H3,(H2,32,36)(H,33,34);(H2,2,3,4)
InChIKeyORNLBSNOCGPZSK-UHFFFAOYSA-N
MW548.60 g/mol
LogP7.32
Rot. Bonds7

About carbonic acid;3-[6-[[5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-1,2-oxazol-4-yl]amino]-2-pyridinyl]benzamide

carbonic acid;3-[6-[[5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-1,2-oxazol-4-yl]amino]-2-pyridinyl]benzamide (PubChem CID 122636324) has the molecular formula C32H28N4O5 and a molecular weight of 548.60 g/mol. Its IUPAC name is carbonic acid;3-[6-[[5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-1,2-oxazol-4-yl]amino]-2-pyridinyl]benzamide.

Molecular Properties

Compound Namecarbonic acid;3-[6-[[5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-1,2-oxazol-4-yl]amino]-2-pyridinyl]benzamide
PubChem CID122636324
Molecular FormulaC32H28N4O5
Molecular Weight548.60 g/mol
Exact Mass548.21
IUPAC Namecarbonic acid;3-[6-[[5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-1,2-oxazol-4-yl]amino]-2-pyridinyl]benzamide
SMILESCc1noc(-c2ccc(-c3ccc(C4CC4)cc3)cc2)c1Nc1cccc(-c2cccc(C(N)=O)c2)n1.O=C(O)O
InChIInChI=1S/C31H26N4O2.CH2O3/c1-19-29(34-28-7-3-6-27(33-28)25-4-2-5-26(18-25)31(32)36)30(37-35-19)24-16-14-23(15-17-24)22-12-10-21(11-13-22)20-8-9-20;2-1(3)4/h2-7,10-18,20H,8-9H2,1H3,(H2,32,36)(H,33,34);(H2,2,3,4)
InChIKeyORNLBSNOCGPZSK-UHFFFAOYSA-N
XLogP7.32
TPSA151.57 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.60
LogP ≤ 57.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of carbonic acid;3-[6-[[5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-1,2-oxazol-4-yl]amino]-2-pyridinyl]benzamide?
The IUPAC name of carbonic acid;3-[6-[[5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-1,2-oxazol-4-yl]amino]-2-pyridinyl]benzamide (CID 122636324) is carbonic acid;3-[6-[[5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-1,2-oxazol-4-yl]amino]-2-pyridinyl]benzamide.
What is the SMILES notation for carbonic acid;3-[6-[[5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-1,2-oxazol-4-yl]amino]-2-pyridinyl]benzamide?
The canonical SMILES for carbonic acid;3-[6-[[5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-1,2-oxazol-4-yl]amino]-2-pyridinyl]benzamide is Cc1noc(-c2ccc(-c3ccc(C4CC4)cc3)cc2)c1Nc1cccc(-c2cccc(C(N)=O)c2)n1.O=C(O)O.
What is the InChIKey of carbonic acid;3-[6-[[5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-1,2-oxazol-4-yl]amino]-2-pyridinyl]benzamide?
The InChIKey is ORNLBSNOCGPZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N4O2.CH2O3/c1-19-29(34-28-7-3-6-27(33-28)25-4-2-5-26(18-25)31(32)36)30(37-35-19)24-16-14-23(15-17-24)22-12-10-21(11-13-22)20-8-9-20;2-1(3)4/h2-7,10-18,20H,8-9H2,1H3,(H2,32,36)(H,33,34);(H2,2,3,4).
What are the key properties of carbonic acid;3-[6-[[5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-1,2-oxazol-4-yl]amino]-2-pyridinyl]benzamide?
carbonic acid;3-[6-[[5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-1,2-oxazol-4-yl]amino]-2-pyridinyl]benzamide has a molecular weight of 548.60 g/mol, XLogP of 7.32, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;3-[6-[[5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-1,2-oxazol-4-yl]amino]-2-pyridinyl]benzamide is sourced from PubChem (CID 122636324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).