N-[1-[2-(1,3-benzoxazol-2-yloxy)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide

C23H19N5O4 — CID 126842435

IUPACN-[1-[2-(1,3-benzoxazol-2-yloxy)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
SMILESCc1cccc(-c2ocnc2C(=O)Nc2cnn(CCOc3nc4ccccc4o3)c2)c1
InChIInChI=1S/C23H19N5O4/c1-15-5-4-6-16(11-15)21-20(24-14-31-21)22(29)26-17-12-25-28(13-17)9-10-30-23-27-18-7-2-3-8-19(18)32-23/h2-8,11-14H,9-10H2,1H3,(H,26,29)
InChIKeyICJXFNRWHWUDQF-UHFFFAOYSA-N
MW429.44 g/mol
LogP4.32
Rot. Bonds7

About N-[1-[2-(1,3-benzoxazol-2-yloxy)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide

N-[1-[2-(1,3-benzoxazol-2-yloxy)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 126842435) has the molecular formula C23H19N5O4 and a molecular weight of 429.44 g/mol. Its IUPAC name is N-[1-[2-(1,3-benzoxazol-2-yloxy)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(1,3-benzoxazol-2-yloxy)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
PubChem CID126842435
Molecular FormulaC23H19N5O4
Molecular Weight429.44 g/mol
Exact Mass429.14
IUPAC NameN-[1-[2-(1,3-benzoxazol-2-yloxy)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
SMILESCc1cccc(-c2ocnc2C(=O)Nc2cnn(CCOc3nc4ccccc4o3)c2)c1
InChIInChI=1S/C23H19N5O4/c1-15-5-4-6-16(11-15)21-20(24-14-31-21)22(29)26-17-12-25-28(13-17)9-10-30-23-27-18-7-2-3-8-19(18)32-23/h2-8,11-14H,9-10H2,1H3,(H,26,29)
InChIKeyICJXFNRWHWUDQF-UHFFFAOYSA-N
XLogP4.32
TPSA108.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.44
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

CID 60151341
CID 60151341
CID 60161573
CID 60161573
CID 60161576
CID 60161576
CID 60161701
CID 60161701
CID 60161702
CID 60161702
CID 60161704
CID 60161704
CID 60161835
CID 60161835
CID 60161836
CID 60161836
CID 60161838
CID 60161838
CID 60161974
CID 60161974
CID 60161975
CID 60161975
CID 60162113
CID 60162113

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(1,3-benzoxazol-2-yloxy)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[1-[2-(1,3-benzoxazol-2-yloxy)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide (CID 126842435) is N-[1-[2-(1,3-benzoxazol-2-yloxy)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-[2-(1,3-benzoxazol-2-yloxy)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[1-[2-(1,3-benzoxazol-2-yloxy)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide is Cc1cccc(-c2ocnc2C(=O)Nc2cnn(CCOc3nc4ccccc4o3)c2)c1.
What is the InChIKey of N-[1-[2-(1,3-benzoxazol-2-yloxy)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is ICJXFNRWHWUDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O4/c1-15-5-4-6-16(11-15)21-20(24-14-31-21)22(29)26-17-12-25-28(13-17)9-10-30-23-27-18-7-2-3-8-19(18)32-23/h2-8,11-14H,9-10H2,1H3,(H,26,29).
What are the key properties of N-[1-[2-(1,3-benzoxazol-2-yloxy)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide?
N-[1-[2-(1,3-benzoxazol-2-yloxy)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 429.44 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(1,3-benzoxazol-2-yloxy)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 126842435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).