4-[1-amino-2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(4-amino-1-phenylpyrazol-3-yl)benzamide

C21H19N7O3 — CID 24753674

IUPAC4-[1-amino-2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(4-amino-1-phenylpyrazol-3-yl)benzamide
SMILESNc1cn(-c2ccccc2)nc1NC(=O)c1ccc(C(N)C(=O)Nc2ccon2)cc1
InChIInChI=1S/C21H19N7O3/c22-16-12-28(15-4-2-1-3-5-15)26-19(16)25-20(29)14-8-6-13(7-9-14)18(23)21(30)24-17-10-11-31-27-17/h1-12,18H,22-23H2,(H,24,27,30)(H,25,26,29)
InChIKeyRZNMHUOVVORQOE-UHFFFAOYSA-N
MW417.43 g/mol
LogP2.33
Rot. Bonds6

About 4-[1-amino-2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(4-amino-1-phenylpyrazol-3-yl)benzamide

4-[1-amino-2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(4-amino-1-phenylpyrazol-3-yl)benzamide (PubChem CID 24753674) has the molecular formula C21H19N7O3 and a molecular weight of 417.43 g/mol. Its IUPAC name is 4-[1-amino-2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(4-amino-1-phenylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-[1-amino-2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(4-amino-1-phenylpyrazol-3-yl)benzamide
PubChem CID24753674
Molecular FormulaC21H19N7O3
Molecular Weight417.43 g/mol
Exact Mass417.15
IUPAC Name4-[1-amino-2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(4-amino-1-phenylpyrazol-3-yl)benzamide
SMILESNc1cn(-c2ccccc2)nc1NC(=O)c1ccc(C(N)C(=O)Nc2ccon2)cc1
InChIInChI=1S/C21H19N7O3/c22-16-12-28(15-4-2-1-3-5-15)26-19(16)25-20(29)14-8-6-13(7-9-14)18(23)21(30)24-17-10-11-31-27-17/h1-12,18H,22-23H2,(H,24,27,30)(H,25,26,29)
InChIKeyRZNMHUOVVORQOE-UHFFFAOYSA-N
XLogP2.33
TPSA154.09 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.43
LogP ≤ 52.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

4-(aminomethyl)-N-(4-amino-1-phenylpyrazol-3-yl)benzamide
CID 16738872
N-(4-amino-1-phenylpyrazol-3-yl)-4-diethoxyphosphorylbenzamide
CID 25012332
N-(4-amino-1-phenylpyrazol-3-yl)-4-[(pyridin-4-ylamino)methyl]benzamide
CID 16739102
2-[4-[(4-amino-1-phenylpyrazol-3-yl)carbamoyl]phenyl]-2-(1,3-benzoxazol-2-yl)propanoic acid
CID 67406523
N-(4-amino-1-phenylpyrazol-3-yl)-4-[fluoro-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide;2,2,2-trifluoroacetic acid
CID 24765493
4-(1-amino-2-anilino-2-oxoethyl)-N-pyridin-4-ylbenzamide
CID 15982114
[4-[[4-amino-1-(4-fluorophenyl)pyrazol-3-yl]carbamoyl]phenyl]methylcarbamic acid
CID 71134013
2-amino-N-(1,2-oxazol-3-yl)-3-phenylpropanamide
CID 62903425
4-[(carbamoylamino)methyl]-N-(4-methyl-1-phenylpyrazol-3-yl)benzamide
CID 56803343
4-amino-3-methyl-N-(1,2-oxazol-3-yl)benzamide
CID 62903600
[4-[[4-amino-1-(4-chlorophenyl)pyrazol-3-yl]carbamoyl]phenyl]methyl-(pyridin-3-ylmethyl)carbamic acid
CID 67406525
tert-butyl-[3-[[4-(1,3-dianilino-1,3-dioxopropan-2-yl)benzoyl]amino]-1-phenylpyrazol-4-yl]carbamic acid
CID 67279473

Frequently Asked Questions

What is the IUPAC name of 4-[1-amino-2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(4-amino-1-phenylpyrazol-3-yl)benzamide?
The IUPAC name of 4-[1-amino-2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(4-amino-1-phenylpyrazol-3-yl)benzamide (CID 24753674) is 4-[1-amino-2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(4-amino-1-phenylpyrazol-3-yl)benzamide.
What is the SMILES notation for 4-[1-amino-2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(4-amino-1-phenylpyrazol-3-yl)benzamide?
The canonical SMILES for 4-[1-amino-2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(4-amino-1-phenylpyrazol-3-yl)benzamide is Nc1cn(-c2ccccc2)nc1NC(=O)c1ccc(C(N)C(=O)Nc2ccon2)cc1.
What is the InChIKey of 4-[1-amino-2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(4-amino-1-phenylpyrazol-3-yl)benzamide?
The InChIKey is RZNMHUOVVORQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O3/c22-16-12-28(15-4-2-1-3-5-15)26-19(16)25-20(29)14-8-6-13(7-9-14)18(23)21(30)24-17-10-11-31-27-17/h1-12,18H,22-23H2,(H,24,27,30)(H,25,26,29).
What are the key properties of 4-[1-amino-2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(4-amino-1-phenylpyrazol-3-yl)benzamide?
4-[1-amino-2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(4-amino-1-phenylpyrazol-3-yl)benzamide has a molecular weight of 417.43 g/mol, XLogP of 2.33, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-amino-2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(4-amino-1-phenylpyrazol-3-yl)benzamide is sourced from PubChem (CID 24753674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).