N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-1-pyridin-4-ylcyclopropane-1-carboxamide

C20H22N4O2 — CID 58256334

IUPACN-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-1-pyridin-4-ylcyclopropane-1-carboxamide
SMILESNC1=N[C@@H](CCc2ccc(NC(=O)C3(c4ccncc4)CC3)cc2)CO1
InChIInChI=1S/C20H22N4O2/c21-19-24-17(13-26-19)6-3-14-1-4-16(5-2-14)23-18(25)20(9-10-20)15-7-11-22-12-8-15/h1-2,4-5,7-8,11-12,17H,3,6,9-10,13H2,(H2,21,24)(H,23,25)/t17-/m0/s1
InChIKeyFCBJVJKRHFSLMI-KRWDZBQOSA-N
MW350.42 g/mol
LogP2.40
Rot. Bonds6

About N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-1-pyridin-4-ylcyclopropane-1-carboxamide

N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-1-pyridin-4-ylcyclopropane-1-carboxamide (PubChem CID 58256334) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-1-pyridin-4-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-1-pyridin-4-ylcyclopropane-1-carboxamide
PubChem CID58256334
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-1-pyridin-4-ylcyclopropane-1-carboxamide
SMILESNC1=N[C@@H](CCc2ccc(NC(=O)C3(c4ccncc4)CC3)cc2)CO1
InChIInChI=1S/C20H22N4O2/c21-19-24-17(13-26-19)6-3-14-1-4-16(5-2-14)23-18(25)20(9-10-20)15-7-11-22-12-8-15/h1-2,4-5,7-8,11-12,17H,3,6,9-10,13H2,(H2,21,24)(H,23,25)/t17-/m0/s1
InChIKeyFCBJVJKRHFSLMI-KRWDZBQOSA-N
XLogP2.40
TPSA89.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-1-pyridin-4-ylcyclopropane-1-carboxamide?
The IUPAC name of N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-1-pyridin-4-ylcyclopropane-1-carboxamide (CID 58256334) is N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-1-pyridin-4-ylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-1-pyridin-4-ylcyclopropane-1-carboxamide?
The canonical SMILES for N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-1-pyridin-4-ylcyclopropane-1-carboxamide is NC1=N[C@@H](CCc2ccc(NC(=O)C3(c4ccncc4)CC3)cc2)CO1.
What is the InChIKey of N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-1-pyridin-4-ylcyclopropane-1-carboxamide?
The InChIKey is FCBJVJKRHFSLMI-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H22N4O2/c21-19-24-17(13-26-19)6-3-14-1-4-16(5-2-14)23-18(25)20(9-10-20)15-7-11-22-12-8-15/h1-2,4-5,7-8,11-12,17H,3,6,9-10,13H2,(H2,21,24)(H,23,25)/t17-/m0/s1.
What are the key properties of N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-1-pyridin-4-ylcyclopropane-1-carboxamide?
N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-1-pyridin-4-ylcyclopropane-1-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-1-pyridin-4-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 58256334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).