N-[5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide

C30H35N7O5 — CID 70654623

IUPACN-[5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)n[nH]3)cc2)no1
InChIInChI=1S/C30H35N7O5/c1-30(2,3)25-19-27(36-42-25)33-29(39)31-22-8-4-20(5-9-22)24-18-26(35-34-24)32-28(38)21-6-10-23(11-7-21)41-17-14-37-12-15-40-16-13-37/h4-11,18-19H,12-17H2,1-3H3,(H2,31,33,36,39)(H2,32,34,35,38)
InChIKeyIJYDTCORQZBRMY-UHFFFAOYSA-N
MW573.65 g/mol
LogP4.97
Rot. Bonds9

About N-[5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide

N-[5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide (PubChem CID 70654623) has the molecular formula C30H35N7O5 and a molecular weight of 573.65 g/mol. Its IUPAC name is N-[5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide.

Molecular Properties

Compound NameN-[5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide
PubChem CID70654623
Molecular FormulaC30H35N7O5
Molecular Weight573.65 g/mol
Exact Mass573.27
IUPAC NameN-[5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)n[nH]3)cc2)no1
InChIInChI=1S/C30H35N7O5/c1-30(2,3)25-19-27(36-42-25)33-29(39)31-22-8-4-20(5-9-22)24-18-26(35-34-24)32-28(38)21-6-10-23(11-7-21)41-17-14-37-12-15-40-16-13-37/h4-11,18-19H,12-17H2,1-3H3,(H2,31,33,36,39)(H2,32,34,35,38)
InChIKeyIJYDTCORQZBRMY-UHFFFAOYSA-N
XLogP4.97
TPSA146.64 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500573.65
LogP ≤ 54.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide?
The IUPAC name of N-[5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide (CID 70654623) is N-[5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide.
What is the SMILES notation for N-[5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide?
The canonical SMILES for N-[5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide is CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)n[nH]3)cc2)no1.
What is the InChIKey of N-[5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide?
The InChIKey is IJYDTCORQZBRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N7O5/c1-30(2,3)25-19-27(36-42-25)33-29(39)31-22-8-4-20(5-9-22)24-18-26(35-34-24)32-28(38)21-6-10-23(11-7-21)41-17-14-37-12-15-40-16-13-37/h4-11,18-19H,12-17H2,1-3H3,(H2,31,33,36,39)(H2,32,34,35,38).
What are the key properties of N-[5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide?
N-[5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide has a molecular weight of 573.65 g/mol, XLogP of 4.97, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-1H-pyrazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide is sourced from PubChem (CID 70654623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).