3-tert-butyl-5-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]-1,2-oxazole-4-carboxamide

C19H23N3O4 — CID 110611034

IUPAC3-tert-butyl-5-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(C(C)(C)C)c1C(=O)Nc1ccc(N2CCOCC2=O)cc1
InChIInChI=1S/C19H23N3O4/c1-12-16(17(21-26-12)19(2,3)4)18(24)20-13-5-7-14(8-6-13)22-9-10-25-11-15(22)23/h5-8H,9-11H2,1-4H3,(H,20,24)
InChIKeyOMRMUSZNGJZQDH-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.90
Rot. Bonds3

About 3-tert-butyl-5-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]-1,2-oxazole-4-carboxamide

3-tert-butyl-5-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 110611034) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 3-tert-butyl-5-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-5-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]-1,2-oxazole-4-carboxamide
PubChem CID110611034
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name3-tert-butyl-5-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(C(C)(C)C)c1C(=O)Nc1ccc(N2CCOCC2=O)cc1
InChIInChI=1S/C19H23N3O4/c1-12-16(17(21-26-12)19(2,3)4)18(24)20-13-5-7-14(8-6-13)22-9-10-25-11-15(22)23/h5-8H,9-11H2,1-4H3,(H,20,24)
InChIKeyOMRMUSZNGJZQDH-UHFFFAOYSA-N
XLogP2.90
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-tert-butyl-5-methyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,2-oxazole-4-carboxamide
CID 110613763
3-tert-butyl-N-[4-(dimethylamino)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 110424690
3-tert-butyl-5-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1,2-oxazole-4-carboxamide
CID 110609669
3-tert-butyl-N-[4-(diethylamino)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 110424770
2-fluoro-N-[4-(3-oxomorpholin-4-yl)phenyl]benzamide
CID 110363540
N-[4-(3-oxomorpholin-4-yl)phenyl]furan-2-carboxamide
CID 110363534
3-tert-butyl-5-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-1,2-oxazole-4-carboxamide
CID 110608030
2-(dimethylamino)-N-[4-(3-oxomorpholin-4-yl)phenyl]pyridine-3-carboxamide
CID 110617692
4-[4-(hydroxymethylamino)phenyl]morpholin-3-one
CID 70327805
4-[4-(3-hydroxypropylamino)phenyl]morpholin-3-one
CID 163448135
2-cyano-N-[4-(3-oxomorpholin-4-yl)phenyl]acetamide
CID 168524282
3-tert-butyl-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
CID 110423356

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-tert-butyl-5-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]-1,2-oxazole-4-carboxamide (CID 110611034) is 3-tert-butyl-5-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-tert-butyl-5-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-tert-butyl-5-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]-1,2-oxazole-4-carboxamide is Cc1onc(C(C)(C)C)c1C(=O)Nc1ccc(N2CCOCC2=O)cc1.
What is the InChIKey of 3-tert-butyl-5-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]-1,2-oxazole-4-carboxamide?
The InChIKey is OMRMUSZNGJZQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-12-16(17(21-26-12)19(2,3)4)18(24)20-13-5-7-14(8-6-13)22-9-10-25-11-15(22)23/h5-8H,9-11H2,1-4H3,(H,20,24).
What are the key properties of 3-tert-butyl-5-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]-1,2-oxazole-4-carboxamide?
3-tert-butyl-5-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]-1,2-oxazole-4-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 110611034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).