(3-formamidophenyl)methylcarbamic acid;3-methoxy-N-methyl-4-(1,3-oxazol-5-yl)aniline

C20H22N4O5 — CID 142907047

IUPAC(3-formamidophenyl)methylcarbamic acid;3-methoxy-N-methyl-4-(1,3-oxazol-5-yl)aniline
SMILESCNc1ccc(-c2cnco2)c(OC)c1.O=CNc1cccc(CNC(=O)O)c1
InChIInChI=1S/C11H12N2O2.C9H10N2O3/c1-12-8-3-4-9(10(5-8)14-2)11-6-13-7-15-11;12-6-11-8-3-1-2-7(4-8)5-10-9(13)14/h3-7,12H,1-2H3;1-4,6,10H,5H2,(H,11,12)(H,13,14)
InChIKeyGTDPARZJGJCPHB-UHFFFAOYSA-N
MW398.42 g/mol
LogP3.41
Rot. Bonds7

About (3-formamidophenyl)methylcarbamic acid;3-methoxy-N-methyl-4-(1,3-oxazol-5-yl)aniline

(3-formamidophenyl)methylcarbamic acid;3-methoxy-N-methyl-4-(1,3-oxazol-5-yl)aniline (PubChem CID 142907047) has the molecular formula C20H22N4O5 and a molecular weight of 398.42 g/mol. Its IUPAC name is (3-formamidophenyl)methylcarbamic acid;3-methoxy-N-methyl-4-(1,3-oxazol-5-yl)aniline.

Molecular Properties

Compound Name(3-formamidophenyl)methylcarbamic acid;3-methoxy-N-methyl-4-(1,3-oxazol-5-yl)aniline
PubChem CID142907047
Molecular FormulaC20H22N4O5
Molecular Weight398.42 g/mol
Exact Mass398.16
IUPAC Name(3-formamidophenyl)methylcarbamic acid;3-methoxy-N-methyl-4-(1,3-oxazol-5-yl)aniline
SMILESCNc1ccc(-c2cnco2)c(OC)c1.O=CNc1cccc(CNC(=O)O)c1
InChIInChI=1S/C11H12N2O2.C9H10N2O3/c1-12-8-3-4-9(10(5-8)14-2)11-6-13-7-15-11;12-6-11-8-3-1-2-7(4-8)5-10-9(13)14/h3-7,12H,1-2H3;1-4,6,10H,5H2,(H,11,12)(H,13,14)
InChIKeyGTDPARZJGJCPHB-UHFFFAOYSA-N
XLogP3.41
TPSA125.72 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 53.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

cyclohexyl N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate
CID 91800673
N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N-phenylpropanediamide
CID 10338010
1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-[(4-methylphenyl)methyl]urea
CID 12051287
1-carbamoyloxybutan-2-yl N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate
CID 18343102
[(2R)-2-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methylcarbamoyloxy]butyl] acetate
CID 10074535
N'-[3-(aminomethyl)phenyl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide;2,2,2-trifluoroacetic acid
CID 22558403
2-[3-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]oxyethynoxyamino]phenyl]-N-phenylacetamide
CID 20766427
oxolan-3-yl N-[[3-[[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-2-oxoacetyl]amino]phenyl]methyl]carbamate
CID 22058490
[(1R)-2-(diethylamino)-1-phenylethyl] N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate
CID 59924995
[(2R)-3-cyano-2-(dimethylamino)propyl] N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate
CID 59925009
ethane;[(3S)-oxolan-3-yl] N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate
CID 91572160
(1-phenyl-3-pyrrolidin-1-ylpropyl) N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate
CID 10076722

Frequently Asked Questions

What is the IUPAC name of (3-formamidophenyl)methylcarbamic acid;3-methoxy-N-methyl-4-(1,3-oxazol-5-yl)aniline?
The IUPAC name of (3-formamidophenyl)methylcarbamic acid;3-methoxy-N-methyl-4-(1,3-oxazol-5-yl)aniline (CID 142907047) is (3-formamidophenyl)methylcarbamic acid;3-methoxy-N-methyl-4-(1,3-oxazol-5-yl)aniline.
What is the SMILES notation for (3-formamidophenyl)methylcarbamic acid;3-methoxy-N-methyl-4-(1,3-oxazol-5-yl)aniline?
The canonical SMILES for (3-formamidophenyl)methylcarbamic acid;3-methoxy-N-methyl-4-(1,3-oxazol-5-yl)aniline is CNc1ccc(-c2cnco2)c(OC)c1.O=CNc1cccc(CNC(=O)O)c1.
What is the InChIKey of (3-formamidophenyl)methylcarbamic acid;3-methoxy-N-methyl-4-(1,3-oxazol-5-yl)aniline?
The InChIKey is GTDPARZJGJCPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2.C9H10N2O3/c1-12-8-3-4-9(10(5-8)14-2)11-6-13-7-15-11;12-6-11-8-3-1-2-7(4-8)5-10-9(13)14/h3-7,12H,1-2H3;1-4,6,10H,5H2,(H,11,12)(H,13,14).
What are the key properties of (3-formamidophenyl)methylcarbamic acid;3-methoxy-N-methyl-4-(1,3-oxazol-5-yl)aniline?
(3-formamidophenyl)methylcarbamic acid;3-methoxy-N-methyl-4-(1,3-oxazol-5-yl)aniline has a molecular weight of 398.42 g/mol, XLogP of 3.41, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-formamidophenyl)methylcarbamic acid;3-methoxy-N-methyl-4-(1,3-oxazol-5-yl)aniline is sourced from PubChem (CID 142907047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).