N-[4-[2-[4-(2-amino-2-oxoethyl)morpholin-2-yl]phenyl]phenyl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide

C27H27N5O4 — CID 70216971

IUPACN-[4-[2-[4-(2-amino-2-oxoethyl)morpholin-2-yl]phenyl]phenyl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESNC(=O)CN1CCOC(c2ccccc2-c2ccc(NC(=O)C3CC(c4cccnc4)=NO3)cc2)C1
InChIInChI=1S/C27H27N5O4/c28-26(33)17-32-12-13-35-25(16-32)22-6-2-1-5-21(22)18-7-9-20(10-8-18)30-27(34)24-14-23(31-36-24)19-4-3-11-29-15-19/h1-11,15,24-25H,12-14,16-17H2,(H2,28,33)(H,30,34)
InChIKeyYYGXZULHBYMGBT-UHFFFAOYSA-N
MW485.54 g/mol
LogP2.74
Rot. Bonds7

About N-[4-[2-[4-(2-amino-2-oxoethyl)morpholin-2-yl]phenyl]phenyl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide

N-[4-[2-[4-(2-amino-2-oxoethyl)morpholin-2-yl]phenyl]phenyl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 70216971) has the molecular formula C27H27N5O4 and a molecular weight of 485.54 g/mol. Its IUPAC name is N-[4-[2-[4-(2-amino-2-oxoethyl)morpholin-2-yl]phenyl]phenyl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[4-(2-amino-2-oxoethyl)morpholin-2-yl]phenyl]phenyl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID70216971
Molecular FormulaC27H27N5O4
Molecular Weight485.54 g/mol
Exact Mass485.21
IUPAC NameN-[4-[2-[4-(2-amino-2-oxoethyl)morpholin-2-yl]phenyl]phenyl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESNC(=O)CN1CCOC(c2ccccc2-c2ccc(NC(=O)C3CC(c4cccnc4)=NO3)cc2)C1
InChIInChI=1S/C27H27N5O4/c28-26(33)17-32-12-13-35-25(16-32)22-6-2-1-5-21(22)18-7-9-20(10-8-18)30-27(34)24-14-23(31-36-24)19-4-3-11-29-15-19/h1-11,15,24-25H,12-14,16-17H2,(H2,28,33)(H,30,34)
InChIKeyYYGXZULHBYMGBT-UHFFFAOYSA-N
XLogP2.74
TPSA119.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.54
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(2-amino-2-oxoethyl)morpholin-2-yl]phenyl]phenyl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[4-[2-[4-(2-amino-2-oxoethyl)morpholin-2-yl]phenyl]phenyl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 70216971) is N-[4-[2-[4-(2-amino-2-oxoethyl)morpholin-2-yl]phenyl]phenyl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[4-[2-[4-(2-amino-2-oxoethyl)morpholin-2-yl]phenyl]phenyl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[4-[2-[4-(2-amino-2-oxoethyl)morpholin-2-yl]phenyl]phenyl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide is NC(=O)CN1CCOC(c2ccccc2-c2ccc(NC(=O)C3CC(c4cccnc4)=NO3)cc2)C1.
What is the InChIKey of N-[4-[2-[4-(2-amino-2-oxoethyl)morpholin-2-yl]phenyl]phenyl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is YYGXZULHBYMGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O4/c28-26(33)17-32-12-13-35-25(16-32)22-6-2-1-5-21(22)18-7-9-20(10-8-18)30-27(34)24-14-23(31-36-24)19-4-3-11-29-15-19/h1-11,15,24-25H,12-14,16-17H2,(H2,28,33)(H,30,34).
What are the key properties of N-[4-[2-[4-(2-amino-2-oxoethyl)morpholin-2-yl]phenyl]phenyl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-[4-[2-[4-(2-amino-2-oxoethyl)morpholin-2-yl]phenyl]phenyl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 485.54 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(2-amino-2-oxoethyl)morpholin-2-yl]phenyl]phenyl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 70216971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).